N-(2-bromoprop-2-enyl)-2-cyclobutylacetamide

C9H14BrNO — CID 103707123

IUPACN-(2-bromoprop-2-enyl)-2-cyclobutylacetamide
SMILESC=C(Br)CNC(=O)CC1CCC1
InChIInChI=1S/C9H14BrNO/c1-7(10)6-11-9(12)5-8-3-2-4-8/h8H,1-6H2,(H,11,12)
InChIKeyQTICEGUPBDCALU-UHFFFAOYSA-N
MW232.12 g/mol
LogP2.20
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-2-cyclobutylacetamide

N-(2-bromoprop-2-enyl)-2-cyclobutylacetamide (PubChem CID 103707123) has the molecular formula C9H14BrNO and a molecular weight of 232.12 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-cyclobutylacetamide
PubChem CID103707123
Molecular FormulaC9H14BrNO
Molecular Weight232.12 g/mol
Exact Mass231.03
IUPAC NameN-(2-bromoprop-2-enyl)-2-cyclobutylacetamide
SMILESC=C(Br)CNC(=O)CC1CCC1
InChIInChI=1S/C9H14BrNO/c1-7(10)6-11-9(12)5-8-3-2-4-8/h8H,1-6H2,(H,11,12)
InChIKeyQTICEGUPBDCALU-UHFFFAOYSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-bromoprop-2-enyl)-2-cyclobutylacetamide 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-(2-bromoprop-2-enyl)-2-cyclobutylacetamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-cyclobutylacetamide (CID 103707123) is N-(2-bromoprop-2-enyl)-2-cyclobutylacetamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-cyclobutylacetamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-cyclobutylacetamide is C=C(Br)CNC(=O)CC1CCC1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-cyclobutylacetamide?
The InChIKey is QTICEGUPBDCALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO/c1-7(10)6-11-9(12)5-8-3-2-4-8/h8H,1-6H2,(H,11,12).
What are the key properties of N-(2-bromoprop-2-enyl)-2-cyclobutylacetamide?
N-(2-bromoprop-2-enyl)-2-cyclobutylacetamide has a molecular weight of 232.12 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-cyclobutylacetamide is sourced from PubChem (CID 103707123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).