N-(2-methylprop-1-enyl)propanamide

C7H13NO — CID 88845744

IUPACN-(2-methylprop-1-enyl)propanamide
SMILESCCC(=O)NC=C(C)C
InChIInChI=1S/C7H13NO/c1-4-7(9)8-5-6(2)3/h5H,4H2,1-3H3,(H,8,9)
InChIKeyQPMQTHKBBKJIQV-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.44
Rot. Bonds2

About N-(2-methylprop-1-enyl)propanamide

N-(2-methylprop-1-enyl)propanamide (PubChem CID 88845744) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-(2-methylprop-1-enyl)propanamide.

Molecular Properties

Compound NameN-(2-methylprop-1-enyl)propanamide
PubChem CID88845744
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-(2-methylprop-1-enyl)propanamide
SMILESCCC(=O)NC=C(C)C
InChIInChI=1S/C7H13NO/c1-4-7(9)8-5-6(2)3/h5H,4H2,1-3H3,(H,8,9)
InChIKeyQPMQTHKBBKJIQV-UHFFFAOYSA-N
XLogP1.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-methylprop-1-enyl)propanamide 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-methylprop-1-enyl)propanamide?
The IUPAC name of N-(2-methylprop-1-enyl)propanamide (CID 88845744) is N-(2-methylprop-1-enyl)propanamide.
What is the SMILES notation for N-(2-methylprop-1-enyl)propanamide?
The canonical SMILES for N-(2-methylprop-1-enyl)propanamide is CCC(=O)NC=C(C)C.
What is the InChIKey of N-(2-methylprop-1-enyl)propanamide?
The InChIKey is QPMQTHKBBKJIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-7(9)8-5-6(2)3/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of N-(2-methylprop-1-enyl)propanamide?
N-(2-methylprop-1-enyl)propanamide has a molecular weight of 127.19 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-1-enyl)propanamide is sourced from PubChem (CID 88845744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).