N,N-di((113C)methyl)-2-oxopropanamide

C5H9NO2 — CID 87495332

IUPACN,N-di((113C)methyl)-2-oxopropanamide
SMILESCC(=O)C(=O)N([13CH3])[13CH3]
InChIInChI=1S/C5H9NO2/c1-4(7)5(8)6(2)3/h1-3H3/i2+1,3+1
InChIKeyJKKHZEVHQJZTNQ-SUEIGJEOSA-N
MW117.12 g/mol
LogP-0.34
Rot. Bonds1

About N,N-di((113C)methyl)-2-oxopropanamide

N,N-di((113C)methyl)-2-oxopropanamide (PubChem CID 87495332) has the molecular formula C5H9NO2 and a molecular weight of 117.12 g/mol. Its IUPAC name is N,N-di((113C)methyl)-2-oxopropanamide.

Molecular Properties

Compound NameN,N-di((113C)methyl)-2-oxopropanamide
PubChem CID87495332
Molecular FormulaC5H9NO2
Molecular Weight117.12 g/mol
Exact Mass117.07
IUPAC NameN,N-di((113C)methyl)-2-oxopropanamide
SMILESCC(=O)C(=O)N([13CH3])[13CH3]
InChIInChI=1S/C5H9NO2/c1-4(7)5(8)6(2)3/h1-3H3/i2+1,3+1
InChIKeyJKKHZEVHQJZTNQ-SUEIGJEOSA-N
XLogP-0.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-di((113C)methyl)-2-oxopropanamide?
The IUPAC name of N,N-di((113C)methyl)-2-oxopropanamide (CID 87495332) is N,N-di((113C)methyl)-2-oxopropanamide.
What is the SMILES notation for N,N-di((113C)methyl)-2-oxopropanamide?
The canonical SMILES for N,N-di((113C)methyl)-2-oxopropanamide is CC(=O)C(=O)N([13CH3])[13CH3].
What is the InChIKey of N,N-di((113C)methyl)-2-oxopropanamide?
The InChIKey is JKKHZEVHQJZTNQ-SUEIGJEOSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4(7)5(8)6(2)3/h1-3H3/i2+1,3+1.
What are the key properties of N,N-di((113C)methyl)-2-oxopropanamide?
N,N-di((113C)methyl)-2-oxopropanamide has a molecular weight of 117.12 g/mol, XLogP of -0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di((113C)methyl)-2-oxopropanamide is sourced from PubChem (CID 87495332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).