2,2-dimethylcyclopropane-1-carboxamide

C6H11NO — CID 574717

IUPAC2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(N)=O
InChIInChI=1S/C6H11NO/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H2,7,8)
InChIKeyYBZQRYWKYBZZNT-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.52
Rot. Bonds1

About 2,2-dimethylcyclopropane-1-carboxamide

2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 574717) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethylcyclopropane-1-carboxamide
PubChem CID574717
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(N)=O
InChIInChI=1S/C6H11NO/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H2,7,8)
InChIKeyYBZQRYWKYBZZNT-UHFFFAOYSA-N
XLogP0.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-dimethylcyclopropane-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 2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethylcyclopropane-1-carboxamide (CID 574717) is 2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(N)=O.
What is the InChIKey of 2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is YBZQRYWKYBZZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H2,7,8).
What are the key properties of 2,2-dimethylcyclopropane-1-carboxamide?
2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 113.16 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 574717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).