3-nitrosocyclohex-3-en-1-amine

C6H10N2O — CID 163529455

IUPAC3-nitrosocyclohex-3-en-1-amine
SMILESNC1CCC=C(N=O)C1
InChIInChI=1S/C6H10N2O/c7-5-2-1-3-6(4-5)8-9/h3,5H,1-2,4,7H2
InChIKeyDRQXHOWQYNWOGW-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.15
Rot. Bonds1

About 3-nitrosocyclohex-3-en-1-amine

3-nitrosocyclohex-3-en-1-amine (PubChem CID 163529455) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 3-nitrosocyclohex-3-en-1-amine.

Molecular Properties

Compound Name3-nitrosocyclohex-3-en-1-amine
PubChem CID163529455
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name3-nitrosocyclohex-3-en-1-amine
SMILESNC1CCC=C(N=O)C1
InChIInChI=1S/C6H10N2O/c7-5-2-1-3-6(4-5)8-9/h3,5H,1-2,4,7H2
InChIKeyDRQXHOWQYNWOGW-UHFFFAOYSA-N
XLogP1.15
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-nitrosocyclohex-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-3-phenylcyclohex-3-en-1-amine
CID 175905363
1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrol-2-amine
CID 141163031
(1S)-cyclohex-3-ene-1,3-diol
CID 67743763
(1R)-2-chlorocyclopent-2-en-1-amine;hydrochloride
CID 118540639
(1R)-4-(trifluoromethyl)cyclohex-3-en-1-amine
CID 124552364
(1,2,3-13C3)cyclopropanamine
CID 76972988
4-(cyclohexen-1-yl)cyclohexan-1-amine
CID 146223069
(5S)-5-methylcyclohexen-1-amine
CID 163541060
bicyclo[3.2.0]heptan-3-one
CID 12550422
(3aR,5aS,8bR)-3,3a,4,5,5a,6,7,8b-octahydro-2H-acenaphthylen-1-one
CID 131181867
4-[(5S)-5-aminocyclohexen-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
CID 164585782
(5R)-bicyclo[3.2.0]hept-1-ene
CID 15939344

Frequently Asked Questions

What is the IUPAC name of 3-nitrosocyclohex-3-en-1-amine?
The IUPAC name of 3-nitrosocyclohex-3-en-1-amine (CID 163529455) is 3-nitrosocyclohex-3-en-1-amine.
What is the SMILES notation for 3-nitrosocyclohex-3-en-1-amine?
The canonical SMILES for 3-nitrosocyclohex-3-en-1-amine is NC1CCC=C(N=O)C1.
What is the InChIKey of 3-nitrosocyclohex-3-en-1-amine?
The InChIKey is DRQXHOWQYNWOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-5-2-1-3-6(4-5)8-9/h3,5H,1-2,4,7H2.
What are the key properties of 3-nitrosocyclohex-3-en-1-amine?
3-nitrosocyclohex-3-en-1-amine has a molecular weight of 126.16 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitrosocyclohex-3-en-1-amine is sourced from PubChem (CID 163529455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).