N-(1-cyanopropan-2-yl)cyclopentanecarboxamide

C10H16N2O — CID 62090096

IUPACN-(1-cyanopropan-2-yl)cyclopentanecarboxamide
SMILESCC(CC#N)NC(=O)C1CCCC1
InChIInChI=1S/C10H16N2O/c1-8(6-7-11)12-10(13)9-4-2-3-5-9/h8-9H,2-6H2,1H3,(H,12,13)
InChIKeyVOKOHRNDOZVCQM-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.59
Rot. Bonds3

About N-(1-cyanopropan-2-yl)cyclopentanecarboxamide

N-(1-cyanopropan-2-yl)cyclopentanecarboxamide (PubChem CID 62090096) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)cyclopentanecarboxamide
PubChem CID62090096
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-(1-cyanopropan-2-yl)cyclopentanecarboxamide
SMILESCC(CC#N)NC(=O)C1CCCC1
InChIInChI=1S/C10H16N2O/c1-8(6-7-11)12-10(13)9-4-2-3-5-9/h8-9H,2-6H2,1H3,(H,12,13)
InChIKeyVOKOHRNDOZVCQM-UHFFFAOYSA-N
XLogP1.59
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)cyclopentanecarboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)cyclopentanecarboxamide (CID 62090096) is N-(1-cyanopropan-2-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)cyclopentanecarboxamide is CC(CC#N)NC(=O)C1CCCC1.
What is the InChIKey of N-(1-cyanopropan-2-yl)cyclopentanecarboxamide?
The InChIKey is VOKOHRNDOZVCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(6-7-11)12-10(13)9-4-2-3-5-9/h8-9H,2-6H2,1H3,(H,12,13).
What are the key properties of N-(1-cyanopropan-2-yl)cyclopentanecarboxamide?
N-(1-cyanopropan-2-yl)cyclopentanecarboxamide has a molecular weight of 180.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)cyclopentanecarboxamide is sourced from PubChem (CID 62090096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).