1-cyano-3-methyl-N-(1-methylcyclopentyl)cyclobutane-1-carboxamide

C13H20N2O — CID 80592452

IUPAC1-cyano-3-methyl-N-(1-methylcyclopentyl)cyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NC2(C)CCCC2)C1
InChIInChI=1S/C13H20N2O/c1-10-7-13(8-10,9-14)11(16)15-12(2)5-3-4-6-12/h10H,3-8H2,1-2H3,(H,15,16)
InChIKeyNFLYOFRMQCTTGO-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.38
Rot. Bonds2

About 1-cyano-3-methyl-N-(1-methylcyclopentyl)cyclobutane-1-carboxamide

1-cyano-3-methyl-N-(1-methylcyclopentyl)cyclobutane-1-carboxamide (PubChem CID 80592452) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-cyano-3-methyl-N-(1-methylcyclopentyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-3-methyl-N-(1-methylcyclopentyl)cyclobutane-1-carboxamide
PubChem CID80592452
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-cyano-3-methyl-N-(1-methylcyclopentyl)cyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NC2(C)CCCC2)C1
InChIInChI=1S/C13H20N2O/c1-10-7-13(8-10,9-14)11(16)15-12(2)5-3-4-6-12/h10H,3-8H2,1-2H3,(H,15,16)
InChIKeyNFLYOFRMQCTTGO-UHFFFAOYSA-N
XLogP2.38
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-methyl-N-(1-methylcyclopentyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-3-methyl-N-(1-methylcyclopentyl)cyclobutane-1-carboxamide (CID 80592452) is 1-cyano-3-methyl-N-(1-methylcyclopentyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-3-methyl-N-(1-methylcyclopentyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-3-methyl-N-(1-methylcyclopentyl)cyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)NC2(C)CCCC2)C1.
What is the InChIKey of 1-cyano-3-methyl-N-(1-methylcyclopentyl)cyclobutane-1-carboxamide?
The InChIKey is NFLYOFRMQCTTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-7-13(8-10,9-14)11(16)15-12(2)5-3-4-6-12/h10H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 1-cyano-3-methyl-N-(1-methylcyclopentyl)cyclobutane-1-carboxamide?
1-cyano-3-methyl-N-(1-methylcyclopentyl)cyclobutane-1-carboxamide has a molecular weight of 220.32 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-methyl-N-(1-methylcyclopentyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80592452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).