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

C11H18N2O — CID 62647590

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

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

N-(1-cyanobutan-2-yl)cyclopentanecarboxamide (PubChem CID 62647590) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(1-cyanobutan-2-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1-cyanobutan-2-yl)cyclopentanecarboxamide
PubChem CID62647590
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(1-cyanobutan-2-yl)cyclopentanecarboxamide
SMILESCCC(CC#N)NC(=O)C1CCCC1
InChIInChI=1S/C11H18N2O/c1-2-10(7-8-12)13-11(14)9-5-3-4-6-9/h9-10H,2-7H2,1H3,(H,13,14)
InChIKeyAIRVVRPAHNHHBU-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-cyanobutan-2-yl)cyclopentanecarboxamide?
The IUPAC name of N-(1-cyanobutan-2-yl)cyclopentanecarboxamide (CID 62647590) is N-(1-cyanobutan-2-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1-cyanobutan-2-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(1-cyanobutan-2-yl)cyclopentanecarboxamide is CCC(CC#N)NC(=O)C1CCCC1.
What is the InChIKey of N-(1-cyanobutan-2-yl)cyclopentanecarboxamide?
The InChIKey is AIRVVRPAHNHHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-10(7-8-12)13-11(14)9-5-3-4-6-9/h9-10H,2-7H2,1H3,(H,13,14).
What are the key properties of N-(1-cyanobutan-2-yl)cyclopentanecarboxamide?
N-(1-cyanobutan-2-yl)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-cyanobutan-2-yl)cyclopentanecarboxamide is sourced from PubChem (CID 62647590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).