N-but-1-enyl-1,2,2,3,3-pentamethylcyclopropane-1-carboxamide

C13H23NO — CID 59370619

IUPACN-but-1-enyl-1,2,2,3,3-pentamethylcyclopropane-1-carboxamide
SMILESCCC=CNC(=O)C1(C)C(C)(C)C1(C)C
InChIInChI=1S/C13H23NO/c1-7-8-9-14-10(15)13(6)11(2,3)12(13,4)5/h8-9H,7H2,1-6H3,(H,14,15)
InChIKeyBKXVZYAXFSTWEG-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.10
Rot. Bonds3

About N-but-1-enyl-1,2,2,3,3-pentamethylcyclopropane-1-carboxamide

N-but-1-enyl-1,2,2,3,3-pentamethylcyclopropane-1-carboxamide (PubChem CID 59370619) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-but-1-enyl-1,2,2,3,3-pentamethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-but-1-enyl-1,2,2,3,3-pentamethylcyclopropane-1-carboxamide
PubChem CID59370619
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-but-1-enyl-1,2,2,3,3-pentamethylcyclopropane-1-carboxamide
SMILESCCC=CNC(=O)C1(C)C(C)(C)C1(C)C
InChIInChI=1S/C13H23NO/c1-7-8-9-14-10(15)13(6)11(2,3)12(13,4)5/h8-9H,7H2,1-6H3,(H,14,15)
InChIKeyBKXVZYAXFSTWEG-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-but-1-enyl-1,2,2,3,3-pentamethylcyclopropane-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 N-but-1-enyl-1,2,2,3,3-pentamethylcyclopropane-1-carboxamide?
The IUPAC name of N-but-1-enyl-1,2,2,3,3-pentamethylcyclopropane-1-carboxamide (CID 59370619) is N-but-1-enyl-1,2,2,3,3-pentamethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-but-1-enyl-1,2,2,3,3-pentamethylcyclopropane-1-carboxamide?
The canonical SMILES for N-but-1-enyl-1,2,2,3,3-pentamethylcyclopropane-1-carboxamide is CCC=CNC(=O)C1(C)C(C)(C)C1(C)C.
What is the InChIKey of N-but-1-enyl-1,2,2,3,3-pentamethylcyclopropane-1-carboxamide?
The InChIKey is BKXVZYAXFSTWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-7-8-9-14-10(15)13(6)11(2,3)12(13,4)5/h8-9H,7H2,1-6H3,(H,14,15).
What are the key properties of N-but-1-enyl-1,2,2,3,3-pentamethylcyclopropane-1-carboxamide?
N-but-1-enyl-1,2,2,3,3-pentamethylcyclopropane-1-carboxamide has a molecular weight of 209.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-enyl-1,2,2,3,3-pentamethylcyclopropane-1-carboxamide is sourced from PubChem (CID 59370619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).