8-imino-7-oxooctanenitrile

C8H12N2O — CID 57189440

IUPAC8-imino-7-oxooctanenitrile
SMILES[H]/N=C/C(=O)CCCCCC#N
InChIInChI=1S/C8H12N2O/c9-6-4-2-1-3-5-8(11)7-10/h7,10H,1-5H2/b10-7+
InChIKeyFEEYEEOCRXLIOC-JXMROGBWSA-N
MW152.20 g/mol
LogP1.68
Rot. Bonds6

About 8-imino-7-oxooctanenitrile

8-imino-7-oxooctanenitrile (PubChem CID 57189440) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 8-imino-7-oxooctanenitrile.

Molecular Properties

Compound Name8-imino-7-oxooctanenitrile
PubChem CID57189440
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name8-imino-7-oxooctanenitrile
SMILES[H]/N=C/C(=O)CCCCCC#N
InChIInChI=1S/C8H12N2O/c9-6-4-2-1-3-5-8(11)7-10/h7,10H,1-5H2/b10-7+
InChIKeyFEEYEEOCRXLIOC-JXMROGBWSA-N
XLogP1.68
TPSA64.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.68
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'}

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Related Compounds

7-imino-6-oxoheptanenitrile
CID 57035473
10-cyanodecanamide
CID 87916786
henicosanedinitrile
CID 87345062
N-(4-cyanobutyl)octanamide
CID 63284822
(5-imino-4-oxopentyl)urea
CID 90786358
methyl 16-cyanohexadecanoate
CID 86171484
ethyl 6-cyanohexanoate
CID 24976
ethyl 13-cyanotridecanoate
CID 66560763
(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
(5S)-5-amino-1-iminoheptane-2,6-dione
CID 174311623

Frequently Asked Questions

What is the IUPAC name of 8-imino-7-oxooctanenitrile?
The IUPAC name of 8-imino-7-oxooctanenitrile (CID 57189440) is 8-imino-7-oxooctanenitrile.
What is the SMILES notation for 8-imino-7-oxooctanenitrile?
The canonical SMILES for 8-imino-7-oxooctanenitrile is [H]/N=C/C(=O)CCCCCC#N.
What is the InChIKey of 8-imino-7-oxooctanenitrile?
The InChIKey is FEEYEEOCRXLIOC-JXMROGBWSA-N. The full InChI is InChI=1S/C8H12N2O/c9-6-4-2-1-3-5-8(11)7-10/h7,10H,1-5H2/b10-7+.
What are the key properties of 8-imino-7-oxooctanenitrile?
8-imino-7-oxooctanenitrile has a molecular weight of 152.20 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imino-7-oxooctanenitrile is sourced from PubChem (CID 57189440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).