7-imino-6-oxoheptanenitrile

C7H10N2O — CID 57035473

IUPAC7-imino-6-oxoheptanenitrile
SMILES[H]/N=C/C(=O)CCCCC#N
InChIInChI=1S/C7H10N2O/c8-5-3-1-2-4-7(10)6-9/h6,9H,1-4H2/b9-6+
InChIKeyGRHYFIHNPODLAC-RMKNXTFCSA-N
MW138.17 g/mol
LogP1.29
Rot. Bonds5

About 7-imino-6-oxoheptanenitrile

7-imino-6-oxoheptanenitrile (PubChem CID 57035473) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 7-imino-6-oxoheptanenitrile.

Molecular Properties

Compound Name7-imino-6-oxoheptanenitrile
PubChem CID57035473
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name7-imino-6-oxoheptanenitrile
SMILES[H]/N=C/C(=O)CCCCC#N
InChIInChI=1S/C7H10N2O/c8-5-3-1-2-4-7(10)6-9/h6,9H,1-4H2/b9-6+
InChIKeyGRHYFIHNPODLAC-RMKNXTFCSA-N
XLogP1.29
TPSA64.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 7-imino-6-oxoheptanenitrile 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

8-imino-7-oxooctanenitrile
CID 57189440
10-cyanodecanamide
CID 87916786
(5-imino-4-oxopentyl)urea
CID 90786358
(2S)-6-imino-2-methyl-5-oxohexanoic acid
CID 177044408
1-iminohept-5-en-2-one
CID 123560377
N-(5-imino-4-oxopentyl)-2-(methylamino)acetamide
CID 167000280
N-(4-cyanobutyl)octanamide
CID 63284822
(5S)-5-amino-1-iminoheptane-2,6-dione
CID 174311623
methyl 16-cyanohexadecanoate
CID 86171484
4-cyanobutyl 5-cyanopentanoate
CID 88549953
7-imino-1-(4-methoxyphenyl)heptane-1,6-dione
CID 135225539
henicosanedinitrile
CID 87345062

Frequently Asked Questions

What is the IUPAC name of 7-imino-6-oxoheptanenitrile?
The IUPAC name of 7-imino-6-oxoheptanenitrile (CID 57035473) is 7-imino-6-oxoheptanenitrile.
What is the SMILES notation for 7-imino-6-oxoheptanenitrile?
The canonical SMILES for 7-imino-6-oxoheptanenitrile is [H]/N=C/C(=O)CCCCC#N.
What is the InChIKey of 7-imino-6-oxoheptanenitrile?
The InChIKey is GRHYFIHNPODLAC-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H10N2O/c8-5-3-1-2-4-7(10)6-9/h6,9H,1-4H2/b9-6+.
What are the key properties of 7-imino-6-oxoheptanenitrile?
7-imino-6-oxoheptanenitrile has a molecular weight of 138.17 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imino-6-oxoheptanenitrile is sourced from PubChem (CID 57035473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).