N-(1-cyanocyclopentyl)-2-methylpentanamide

C12H20N2O — CID 60704780

IUPACN-(1-cyanocyclopentyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NC1(C#N)CCCC1
InChIInChI=1S/C12H20N2O/c1-3-6-10(2)11(15)14-12(9-13)7-4-5-8-12/h10H,3-8H2,1-2H3,(H,14,15)
InChIKeyDTRIVGQKWYUUGL-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.38
Rot. Bonds4

About N-(1-cyanocyclopentyl)-2-methylpentanamide

N-(1-cyanocyclopentyl)-2-methylpentanamide (PubChem CID 60704780) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-methylpentanamide
PubChem CID60704780
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-(1-cyanocyclopentyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NC1(C#N)CCCC1
InChIInChI=1S/C12H20N2O/c1-3-6-10(2)11(15)14-12(9-13)7-4-5-8-12/h10H,3-8H2,1-2H3,(H,14,15)
InChIKeyDTRIVGQKWYUUGL-UHFFFAOYSA-N
XLogP2.38
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-methylpentanamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-methylpentanamide (CID 60704780) is N-(1-cyanocyclopentyl)-2-methylpentanamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-methylpentanamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-methylpentanamide is CCCC(C)C(=O)NC1(C#N)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-methylpentanamide?
The InChIKey is DTRIVGQKWYUUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-6-10(2)11(15)14-12(9-13)7-4-5-8-12/h10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-(1-cyanocyclopentyl)-2-methylpentanamide?
N-(1-cyanocyclopentyl)-2-methylpentanamide has a molecular weight of 208.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-methylpentanamide is sourced from PubChem (CID 60704780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).