1-cyano-N-(2-methylcyclopentyl)cyclobutane-1-carboxamide

C12H18N2O — CID 78994479

IUPAC1-cyano-N-(2-methylcyclopentyl)cyclobutane-1-carboxamide
SMILESCC1CCCC1NC(=O)C1(C#N)CCC1
InChIInChI=1S/C12H18N2O/c1-9-4-2-5-10(9)14-11(15)12(8-13)6-3-7-12/h9-10H,2-7H2,1H3,(H,14,15)
InChIKeyHTOHEMQFFJUEKF-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.99
Rot. Bonds2

About 1-cyano-N-(2-methylcyclopentyl)cyclobutane-1-carboxamide

1-cyano-N-(2-methylcyclopentyl)cyclobutane-1-carboxamide (PubChem CID 78994479) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-cyano-N-(2-methylcyclopentyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-methylcyclopentyl)cyclobutane-1-carboxamide
PubChem CID78994479
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-cyano-N-(2-methylcyclopentyl)cyclobutane-1-carboxamide
SMILESCC1CCCC1NC(=O)C1(C#N)CCC1
InChIInChI=1S/C12H18N2O/c1-9-4-2-5-10(9)14-11(15)12(8-13)6-3-7-12/h9-10H,2-7H2,1H3,(H,14,15)
InChIKeyHTOHEMQFFJUEKF-UHFFFAOYSA-N
XLogP1.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-(2-hydroxycyclohexyl)cyclobutane-1-carboxamide
CID 80592030
1-cyano-N-(2-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide
CID 114121545
1-cyano-N-(4-methylcyclohexyl)cyclobutane-1-carboxamide
CID 78994982
1-amino-N-(2-methylcyclopentyl)cyclobutane-1-carboxamide
CID 81169316
1-cyano-N-(2,2-dimethylcyclopropyl)cyclopentane-1-carboxamide
CID 55031136
1-cyano-N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]cyclopentane-1-carboxamide
CID 164641465
1-hydroxy-N-(2-methylcyclohexyl)cyclopentane-1-carboxamide
CID 71970125
(2-methylcyclopentyl)urea
CID 63281869
1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
CID 115671011
N-(2-bicyclo[2.2.1]heptanyl)-1-cyanocyclopropane-1-carboxamide
CID 80592450
1-amino-3-methyl-N-(2-methylcyclopentyl)cyclohexane-1-carboxamide
CID 64553819
(2-methylcyclohexyl)urea
CID 3345444

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-methylcyclopentyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-methylcyclopentyl)cyclobutane-1-carboxamide (CID 78994479) is 1-cyano-N-(2-methylcyclopentyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-methylcyclopentyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-methylcyclopentyl)cyclobutane-1-carboxamide is CC1CCCC1NC(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-(2-methylcyclopentyl)cyclobutane-1-carboxamide?
The InChIKey is HTOHEMQFFJUEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-4-2-5-10(9)14-11(15)12(8-13)6-3-7-12/h9-10H,2-7H2,1H3,(H,14,15).
What are the key properties of 1-cyano-N-(2-methylcyclopentyl)cyclobutane-1-carboxamide?
1-cyano-N-(2-methylcyclopentyl)cyclobutane-1-carboxamide has a molecular weight of 206.29 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-methylcyclopentyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 78994479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).