2,2-dimethyl-3-(2-methylprop-1-enyl)-N-propan-2-ylcyclopropane-1-carboxamide

C13H23NO — CID 23548824

IUPAC2,2-dimethyl-3-(2-methylprop-1-enyl)-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NC(C)C)C1(C)C
InChIInChI=1S/C13H23NO/c1-8(2)7-10-11(13(10,5)6)12(15)14-9(3)4/h7,9-11H,1-6H3,(H,14,15)
InChIKeyKAKXBNHJXOBMRL-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.75
Rot. Bonds3

About 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-propan-2-ylcyclopropane-1-carboxamide

2,2-dimethyl-3-(2-methylprop-1-enyl)-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 23548824) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID23548824
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NC(C)C)C1(C)C
InChIInChI=1S/C13H23NO/c1-8(2)7-10-11(13(10,5)6)12(15)14-9(3)4/h7,9-11H,1-6H3,(H,14,15)
InChIKeyKAKXBNHJXOBMRL-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-propan-2-ylcyclopropane-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-dimethyl-3-(2-methylprop-1-enyl)-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-propan-2-ylcyclopropane-1-carboxamide (CID 23548824) is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-propan-2-ylcyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)NC(C)C)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is KAKXBNHJXOBMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-8(2)7-10-11(13(10,5)6)12(15)14-9(3)4/h7,9-11H,1-6H3,(H,14,15).
What are the key properties of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-propan-2-ylcyclopropane-1-carboxamide?
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 209.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 23548824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).