1-cyano-N-(2,2-dimethylcyclopropyl)cyclopentane-1-carboxamide

C12H18N2O — CID 55031136

IUPAC1-cyano-N-(2,2-dimethylcyclopropyl)cyclopentane-1-carboxamide
SMILESCC1(C)CC1NC(=O)C1(C#N)CCCC1
InChIInChI=1S/C12H18N2O/c1-11(2)7-9(11)14-10(15)12(8-13)5-3-4-6-12/h9H,3-7H2,1-2H3,(H,14,15)
InChIKeyBBJCIKHZMVNIRY-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.99
Rot. Bonds2

About 1-cyano-N-(2,2-dimethylcyclopropyl)cyclopentane-1-carboxamide

1-cyano-N-(2,2-dimethylcyclopropyl)cyclopentane-1-carboxamide (PubChem CID 55031136) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-cyano-N-(2,2-dimethylcyclopropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2,2-dimethylcyclopropyl)cyclopentane-1-carboxamide
PubChem CID55031136
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-cyano-N-(2,2-dimethylcyclopropyl)cyclopentane-1-carboxamide
SMILESCC1(C)CC1NC(=O)C1(C#N)CCCC1
InChIInChI=1S/C12H18N2O/c1-11(2)7-9(11)14-10(15)12(8-13)5-3-4-6-12/h9H,3-7H2,1-2H3,(H,14,15)
InChIKeyBBJCIKHZMVNIRY-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-(dicyclopropylmethyl)cyclopentane-1-carboxamide
CID 61841438
1-cyano-N-(4,4,4-trifluorobutan-2-yl)cyclopentane-1-carboxamide
CID 104854889
1-cyano-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide
CID 113322121
N-[(1R)-1-cyanoethyl]-1-fluorocyclopentane-1-carboxamide
CID 130621801
N-(1-cyanoethyl)-1-fluorocyclopentane-1-carboxamide
CID 130659187
N-[(1S)-1-cyanoethyl]-1-fluorocyclopentane-1-carboxamide
CID 130961989
N-[(1S)-1-cyanoethyl]-3-fluorocyclopentane-1-carboxamide
CID 131019574
N-(2,2-dimethylcyclopropyl)-1-(trifluoromethyl)cyclopentane-1-carboxamide
CID 177969680
1-cyano-N-cyclopentylcyclopentane-1-carboxamide
CID 33722085
N-(1-cyano-2-methylpropyl)-3,4,4-trimethylpentanamide
CID 63940823
1-methyl-N-(5-methylhexan-2-yl)cyclopentane-1-carboxamide
CID 71902379
2-amino-N-(1-cyanocyclopentyl)-4,4-dimethylpentanamide
CID 11459036

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2,2-dimethylcyclopropyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2,2-dimethylcyclopropyl)cyclopentane-1-carboxamide (CID 55031136) is 1-cyano-N-(2,2-dimethylcyclopropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2,2-dimethylcyclopropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2,2-dimethylcyclopropyl)cyclopentane-1-carboxamide is CC1(C)CC1NC(=O)C1(C#N)CCCC1.
What is the InChIKey of 1-cyano-N-(2,2-dimethylcyclopropyl)cyclopentane-1-carboxamide?
The InChIKey is BBJCIKHZMVNIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-11(2)7-9(11)14-10(15)12(8-13)5-3-4-6-12/h9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 1-cyano-N-(2,2-dimethylcyclopropyl)cyclopentane-1-carboxamide?
1-cyano-N-(2,2-dimethylcyclopropyl)cyclopentane-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-(2,2-dimethylcyclopropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 55031136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).