N-(1-cyanobutyl)cyclopentanecarboxamide

C11H18N2O — CID 61119104

IUPACN-(1-cyanobutyl)cyclopentanecarboxamide
SMILESCCCC(C#N)NC(=O)C1CCCC1
InChIInChI=1S/C11H18N2O/c1-2-5-10(8-12)13-11(14)9-6-3-4-7-9/h9-10H,2-7H2,1H3,(H,13,14)
InChIKeyOSUAJUPNVCAAPY-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.99
Rot. Bonds4

About N-(1-cyanobutyl)cyclopentanecarboxamide

N-(1-cyanobutyl)cyclopentanecarboxamide (PubChem CID 61119104) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(1-cyanobutyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)cyclopentanecarboxamide
PubChem CID61119104
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(1-cyanobutyl)cyclopentanecarboxamide
SMILESCCCC(C#N)NC(=O)C1CCCC1
InChIInChI=1S/C11H18N2O/c1-2-5-10(8-12)13-11(14)9-6-3-4-7-9/h9-10H,2-7H2,1H3,(H,13,14)
InChIKeyOSUAJUPNVCAAPY-UHFFFAOYSA-N
XLogP1.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)cyclopentanecarboxamide?
The IUPAC name of N-(1-cyanobutyl)cyclopentanecarboxamide (CID 61119104) is N-(1-cyanobutyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1-cyanobutyl)cyclopentanecarboxamide?
The canonical SMILES for N-(1-cyanobutyl)cyclopentanecarboxamide is CCCC(C#N)NC(=O)C1CCCC1.
What is the InChIKey of N-(1-cyanobutyl)cyclopentanecarboxamide?
The InChIKey is OSUAJUPNVCAAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-5-10(8-12)13-11(14)9-6-3-4-7-9/h9-10H,2-7H2,1H3,(H,13,14).
What are the key properties of N-(1-cyanobutyl)cyclopentanecarboxamide?
N-(1-cyanobutyl)cyclopentanecarboxamide has a molecular weight of 194.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)cyclopentanecarboxamide is sourced from PubChem (CID 61119104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).