N-(5-methyl-2-oxohexan-3-yl)prop-2-enamide

C10H17NO2 — CID 19357464

IUPACN-(5-methyl-2-oxohexan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC(CC(C)C)C(C)=O
InChIInChI=1S/C10H17NO2/c1-5-10(13)11-9(8(4)12)6-7(2)3/h5,7,9H,1,6H2,2-4H3,(H,11,13)
InChIKeyNMKMACDDWMSDPU-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.29
Rot. Bonds5

About N-(5-methyl-2-oxohexan-3-yl)prop-2-enamide

N-(5-methyl-2-oxohexan-3-yl)prop-2-enamide (PubChem CID 19357464) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(5-methyl-2-oxohexan-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-methyl-2-oxohexan-3-yl)prop-2-enamide
PubChem CID19357464
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-(5-methyl-2-oxohexan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC(CC(C)C)C(C)=O
InChIInChI=1S/C10H17NO2/c1-5-10(13)11-9(8(4)12)6-7(2)3/h5,7,9H,1,6H2,2-4H3,(H,11,13)
InChIKeyNMKMACDDWMSDPU-UHFFFAOYSA-N
XLogP1.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(5-methyl-2-oxohexan-3-yl)prop-2-enamide 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-(5-methyl-2-oxohexan-3-yl)prop-2-enamide?
The IUPAC name of N-(5-methyl-2-oxohexan-3-yl)prop-2-enamide (CID 19357464) is N-(5-methyl-2-oxohexan-3-yl)prop-2-enamide.
What is the SMILES notation for N-(5-methyl-2-oxohexan-3-yl)prop-2-enamide?
The canonical SMILES for N-(5-methyl-2-oxohexan-3-yl)prop-2-enamide is C=CC(=O)NC(CC(C)C)C(C)=O.
What is the InChIKey of N-(5-methyl-2-oxohexan-3-yl)prop-2-enamide?
The InChIKey is NMKMACDDWMSDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-10(13)11-9(8(4)12)6-7(2)3/h5,7,9H,1,6H2,2-4H3,(H,11,13).
What are the key properties of N-(5-methyl-2-oxohexan-3-yl)prop-2-enamide?
N-(5-methyl-2-oxohexan-3-yl)prop-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-oxohexan-3-yl)prop-2-enamide is sourced from PubChem (CID 19357464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).