N-(2-bromoprop-2-enyl)-3-methylpentanamide

C9H16BrNO — CID 114875349

IUPACN-(2-bromoprop-2-enyl)-3-methylpentanamide
SMILESC=C(Br)CNC(=O)CC(C)CC
InChIInChI=1S/C9H16BrNO/c1-4-7(2)5-9(12)11-6-8(3)10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyPRTVCHMGWSYGEK-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.45
Rot. Bonds5

About N-(2-bromoprop-2-enyl)-3-methylpentanamide

N-(2-bromoprop-2-enyl)-3-methylpentanamide (PubChem CID 114875349) has the molecular formula C9H16BrNO and a molecular weight of 234.14 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-3-methylpentanamide
PubChem CID114875349
Molecular FormulaC9H16BrNO
Molecular Weight234.14 g/mol
Exact Mass233.04
IUPAC NameN-(2-bromoprop-2-enyl)-3-methylpentanamide
SMILESC=C(Br)CNC(=O)CC(C)CC
InChIInChI=1S/C9H16BrNO/c1-4-7(2)5-9(12)11-6-8(3)10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyPRTVCHMGWSYGEK-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-bromoprop-2-enyl)-3-methylpentanamide 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)-3-methylpentanamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-3-methylpentanamide (CID 114875349) is N-(2-bromoprop-2-enyl)-3-methylpentanamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-3-methylpentanamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-3-methylpentanamide is C=C(Br)CNC(=O)CC(C)CC.
What is the InChIKey of N-(2-bromoprop-2-enyl)-3-methylpentanamide?
The InChIKey is PRTVCHMGWSYGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO/c1-4-7(2)5-9(12)11-6-8(3)10/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-(2-bromoprop-2-enyl)-3-methylpentanamide?
N-(2-bromoprop-2-enyl)-3-methylpentanamide has a molecular weight of 234.14 g/mol, XLogP of 2.45, 5 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)-3-methylpentanamide is sourced from PubChem (CID 114875349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).