2-[methyl-(2-oxocyclopentyl)amino]acetonitrile

C8H12N2O — CID 14262027

IUPAC2-[methyl-(2-oxocyclopentyl)amino]acetonitrile
SMILESCN(CC#N)C1CCCC1=O
InChIInChI=1S/C8H12N2O/c1-10(6-5-9)7-3-2-4-8(7)11/h7H,2-4,6H2,1H3
InChIKeyIWJUVYHHVPIBSI-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.56
Rot. Bonds2

About 2-[methyl-(2-oxocyclopentyl)amino]acetonitrile

2-[methyl-(2-oxocyclopentyl)amino]acetonitrile (PubChem CID 14262027) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-[methyl-(2-oxocyclopentyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[methyl-(2-oxocyclopentyl)amino]acetonitrile
PubChem CID14262027
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-[methyl-(2-oxocyclopentyl)amino]acetonitrile
SMILESCN(CC#N)C1CCCC1=O
InChIInChI=1S/C8H12N2O/c1-10(6-5-9)7-3-2-4-8(7)11/h7H,2-4,6H2,1H3
InChIKeyIWJUVYHHVPIBSI-UHFFFAOYSA-N
XLogP0.56
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-oxocyclopentyl)amino]acetonitrile?
The IUPAC name of 2-[methyl-(2-oxocyclopentyl)amino]acetonitrile (CID 14262027) is 2-[methyl-(2-oxocyclopentyl)amino]acetonitrile.
What is the SMILES notation for 2-[methyl-(2-oxocyclopentyl)amino]acetonitrile?
The canonical SMILES for 2-[methyl-(2-oxocyclopentyl)amino]acetonitrile is CN(CC#N)C1CCCC1=O.
What is the InChIKey of 2-[methyl-(2-oxocyclopentyl)amino]acetonitrile?
The InChIKey is IWJUVYHHVPIBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-10(6-5-9)7-3-2-4-8(7)11/h7H,2-4,6H2,1H3.
What are the key properties of 2-[methyl-(2-oxocyclopentyl)amino]acetonitrile?
2-[methyl-(2-oxocyclopentyl)amino]acetonitrile has a molecular weight of 152.20 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-oxocyclopentyl)amino]acetonitrile is sourced from PubChem (CID 14262027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).