EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	RV3DQ88PEB
EPA CompTox	DTXSID201216898

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

RV3DQ88PEB

EPA CompTox

DTXSID201216898


InChI Key	HVHSYOQZXWLFGF-FFVZZNFRSA-N
Smiles	ON=C1C(C(=NO)C1(C)C)(C)C
InChI	InChI=1/C8H14N2O2/c1-7(2)5(9-11)8(3,4)6(7)10-12/h11-12H,1-4H3

InChI Key

HVHSYOQZXWLFGF-FFVZZNFRSA-N

Smiles

ON=C1C(C(=NO)C1(C)C)(C)C

InChI

InChI=1/C8H14N2O2/c1-7(2)5(9-11)8(3,4)6(7)10-12/h11-12H,1-4H3

Property Name	Value
Molecular Formula	C8H14N2O2
Molecular Weight	170.11
AlogP	1.71
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Polar Surface Area	65.18
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C8H14N2O2

Molecular Weight

170.11

AlogP

1.71

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Polar Surface Area

65.18

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	1127-29-3
NORMAN SUSDAT
FDA SRS	RV3DQ88PEB
PubChem	70779

Resources

Reference

CAS NUMBER

1127-29-3

NORMAN SUSDAT

FDA SRS

RV3DQ88PEB

PubChem

70779

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

2,2,4,4-TETRAMETHYLCYCLOBUTANE-1,3-DIONE DIOXIME

Structure

Physicochemical Descriptors

Cross References