1-cyano-3-methyl-N-[(2-methylcyclopropyl)methyl]cyclobutane-1-carboxamide

C12H18N2O — CID 115692845

IUPAC1-cyano-3-methyl-N-[(2-methylcyclopropyl)methyl]cyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NCC2CC2C)C1
InChIInChI=1S/C12H18N2O/c1-8-4-12(5-8,7-13)11(15)14-6-10-3-9(10)2/h8-10H,3-6H2,1-2H3,(H,14,15)
InChIKeyNTAGJBSSIYFOGZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.70
Rot. Bonds3

About 1-cyano-3-methyl-N-[(2-methylcyclopropyl)methyl]cyclobutane-1-carboxamide

1-cyano-3-methyl-N-[(2-methylcyclopropyl)methyl]cyclobutane-1-carboxamide (PubChem CID 115692845) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-cyano-3-methyl-N-[(2-methylcyclopropyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-3-methyl-N-[(2-methylcyclopropyl)methyl]cyclobutane-1-carboxamide
PubChem CID115692845
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-cyano-3-methyl-N-[(2-methylcyclopropyl)methyl]cyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NCC2CC2C)C1
InChIInChI=1S/C12H18N2O/c1-8-4-12(5-8,7-13)11(15)14-6-10-3-9(10)2/h8-10H,3-6H2,1-2H3,(H,14,15)
InChIKeyNTAGJBSSIYFOGZ-UHFFFAOYSA-N
XLogP1.70
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 115693600
1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide
CID 114617272
N-[(E)-but-2-enyl]-1-cyano-3-methylcyclobutane-1-carboxamide
CID 131239055
1-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylcyclobutane-1-carboxamide
CID 103770292
1-cyano-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide
CID 80502397
1-cyano-N-(2-ethoxypropyl)-3-methylcyclobutane-1-carboxamide
CID 115693613
1-cyano-3-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide
CID 80501020
1-cyano-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide
CID 107413298
1-cyano-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 80502375
1-cyano-3-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide
CID 80598099
1-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylcyclobutane-1-carboxamide
CID 103752016
1-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide
CID 80502256

Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-methyl-N-[(2-methylcyclopropyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-3-methyl-N-[(2-methylcyclopropyl)methyl]cyclobutane-1-carboxamide (CID 115692845) is 1-cyano-3-methyl-N-[(2-methylcyclopropyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-3-methyl-N-[(2-methylcyclopropyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-3-methyl-N-[(2-methylcyclopropyl)methyl]cyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)NCC2CC2C)C1.
What is the InChIKey of 1-cyano-3-methyl-N-[(2-methylcyclopropyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is NTAGJBSSIYFOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-4-12(5-8,7-13)11(15)14-6-10-3-9(10)2/h8-10H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 1-cyano-3-methyl-N-[(2-methylcyclopropyl)methyl]cyclobutane-1-carboxamide?
1-cyano-3-methyl-N-[(2-methylcyclopropyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 206.29 g/mol, XLogP of 1.70, 3 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-[(2-methylcyclopropyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115692845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).