1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide

C13H20N2O — CID 62862227

IUPAC1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide
SMILESCN(CC1CCC1)C(=O)C1(C#N)CCCC1
InChIInChI=1S/C13H20N2O/c1-15(9-11-5-4-6-11)12(16)13(10-14)7-2-3-8-13/h11H,2-9H2,1H3
InChIKeyLSGZNORCAHSOIZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.33
Rot. Bonds3

About 1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide

1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide (PubChem CID 62862227) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide
PubChem CID62862227
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide
SMILESCN(CC1CCC1)C(=O)C1(C#N)CCCC1
InChIInChI=1S/C13H20N2O/c1-15(9-11-5-4-6-11)12(16)13(10-14)7-2-3-8-13/h11H,2-9H2,1H3
InChIKeyLSGZNORCAHSOIZ-UHFFFAOYSA-N
XLogP2.33
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide (CID 62862227) is 1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide is CN(CC1CCC1)C(=O)C1(C#N)CCCC1.
What is the InChIKey of 1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide?
The InChIKey is LSGZNORCAHSOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15(9-11-5-4-6-11)12(16)13(10-14)7-2-3-8-13/h11H,2-9H2,1H3.
What are the key properties of 1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide?
1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide has a molecular weight of 220.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 62862227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).