1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide

C11H16N2O — CID 114617272

IUPAC1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide
SMILESC=C(C)CNC(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C11H16N2O/c1-8(2)6-13-10(14)11(7-12)4-9(3)5-11/h9H,1,4-6H2,2-3H3,(H,13,14)
InChIKeyZVQKORIQUMOKLT-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.62
Rot. Bonds3

About 1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide

1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide (PubChem CID 114617272) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide
PubChem CID114617272
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide
SMILESC=C(C)CNC(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C11H16N2O/c1-8(2)6-13-10(14)11(7-12)4-9(3)5-11/h9H,1,4-6H2,2-3H3,(H,13,14)
InChIKeyZVQKORIQUMOKLT-UHFFFAOYSA-N
XLogP1.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloroprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 115693600
1-cyano-3-methyl-N-[(2-methylcyclopropyl)methyl]cyclobutane-1-carboxamide
CID 115692845
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-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
1-cyano-N-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclobutane-1-carboxamide
CID 103752414

Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide (CID 114617272) is 1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide is C=C(C)CNC(=O)C1(C#N)CC(C)C1.
What is the InChIKey of 1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide?
The InChIKey is ZVQKORIQUMOKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(2)6-13-10(14)11(7-12)4-9(3)5-11/h9H,1,4-6H2,2-3H3,(H,13,14).
What are the key properties of 1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide?
1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide has a molecular weight of 192.26 g/mol, XLogP of 1.62, 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-methylprop-2-enyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 114617272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).