N-methylacetamide;propan-2-one

C6H13NO2 — CID 21466986

IUPACN-methylacetamide;propan-2-one
SMILESCC(C)=O.CNC(C)=O
InChIInChI=1S/C3H7NO.C3H6O/c1-3(5)4-2;1-3(2)4/h1-2H3,(H,4,5);1-2H3
InChIKeyKVVYVTXIPBCSQO-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.35
Rot. Bonds

About N-methylacetamide;propan-2-one

N-methylacetamide;propan-2-one (PubChem CID 21466986) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is N-methylacetamide;propan-2-one.

Molecular Properties

Compound NameN-methylacetamide;propan-2-one
PubChem CID21466986
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC NameN-methylacetamide;propan-2-one
SMILESCC(C)=O.CNC(C)=O
InChIInChI=1S/C3H7NO.C3H6O/c1-3(5)4-2;1-3(2)4/h1-2H3,(H,4,5);1-2H3
InChIKeyKVVYVTXIPBCSQO-UHFFFAOYSA-N
XLogP0.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methylacetamide;propan-2-one 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-methylacetamide;propan-2-one?
The IUPAC name of N-methylacetamide;propan-2-one (CID 21466986) is N-methylacetamide;propan-2-one.
What is the SMILES notation for N-methylacetamide;propan-2-one?
The canonical SMILES for N-methylacetamide;propan-2-one is CC(C)=O.CNC(C)=O.
What is the InChIKey of N-methylacetamide;propan-2-one?
The InChIKey is KVVYVTXIPBCSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.C3H6O/c1-3(5)4-2;1-3(2)4/h1-2H3,(H,4,5);1-2H3.
What are the key properties of N-methylacetamide;propan-2-one?
N-methylacetamide;propan-2-one has a molecular weight of 131.17 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylacetamide;propan-2-one is sourced from PubChem (CID 21466986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).