3-cyano-N-(3-methylbutan-2-yl)bicyclo[1.1.1]pentane-1-carboxamide

C12H18N2O — CID 167136227

IUPAC3-cyano-N-(3-methylbutan-2-yl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESCC(C)C(C)NC(=O)C12CC(C#N)(C1)C2
InChIInChI=1S/C12H18N2O/c1-8(2)9(3)14-10(15)12-4-11(5-12,6-12)7-13/h8-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyIOJLOWKMEVBZJN-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.84
Rot. Bonds3

About 3-cyano-N-(3-methylbutan-2-yl)bicyclo[1.1.1]pentane-1-carboxamide

3-cyano-N-(3-methylbutan-2-yl)bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 167136227) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-cyano-N-(3-methylbutan-2-yl)bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound Name3-cyano-N-(3-methylbutan-2-yl)bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID167136227
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-cyano-N-(3-methylbutan-2-yl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESCC(C)C(C)NC(=O)C12CC(C#N)(C1)C2
InChIInChI=1S/C12H18N2O/c1-8(2)9(3)14-10(15)12-4-11(5-12,6-12)7-13/h8-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyIOJLOWKMEVBZJN-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyano-N-(3-methylbutan-2-yl)bicyclo[1.1.1]pentane-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

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3-methylbutan-2-yl)bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of 3-cyano-N-(3-methylbutan-2-yl)bicyclo[1.1.1]pentane-1-carboxamide (CID 167136227) is 3-cyano-N-(3-methylbutan-2-yl)bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for 3-cyano-N-(3-methylbutan-2-yl)bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for 3-cyano-N-(3-methylbutan-2-yl)bicyclo[1.1.1]pentane-1-carboxamide is CC(C)C(C)NC(=O)C12CC(C#N)(C1)C2.
What is the InChIKey of 3-cyano-N-(3-methylbutan-2-yl)bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is IOJLOWKMEVBZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)9(3)14-10(15)12-4-11(5-12,6-12)7-13/h8-9H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 3-cyano-N-(3-methylbutan-2-yl)bicyclo[1.1.1]pentane-1-carboxamide?
3-cyano-N-(3-methylbutan-2-yl)bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 206.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(3-methylbutan-2-yl)bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 167136227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).