N,N-dimethyl-2-oxo(113C)propanamide

C5H9NO2 — CID 25183889

IUPACN,N-dimethyl-2-oxo(113C)propanamide
SMILESCC(=O)[13C](=O)N(C)C
InChIInChI=1S/C5H9NO2/c1-4(7)5(8)6(2)3/h1-3H3/i5+1
InChIKeyJKKHZEVHQJZTNQ-HOSYLAQJSA-N
MW116.12 g/mol
LogP-0.34
Rot. Bonds1

About N,N-dimethyl-2-oxo(113C)propanamide

N,N-dimethyl-2-oxo(113C)propanamide (PubChem CID 25183889) has the molecular formula C5H9NO2 and a molecular weight of 116.12 g/mol. Its IUPAC name is N,N-dimethyl-2-oxo(113C)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-oxo(113C)propanamide
PubChem CID25183889
Molecular FormulaC5H9NO2
Molecular Weight116.12 g/mol
Exact Mass116.07
IUPAC NameN,N-dimethyl-2-oxo(113C)propanamide
SMILESCC(=O)[13C](=O)N(C)C
InChIInChI=1S/C5H9NO2/c1-4(7)5(8)6(2)3/h1-3H3/i5+1
InChIKeyJKKHZEVHQJZTNQ-HOSYLAQJSA-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 ≤ 500116.12
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-dimethyl-2-oxo(113C)propanamide?
The IUPAC name of N,N-dimethyl-2-oxo(113C)propanamide (CID 25183889) is N,N-dimethyl-2-oxo(113C)propanamide.
What is the SMILES notation for N,N-dimethyl-2-oxo(113C)propanamide?
The canonical SMILES for N,N-dimethyl-2-oxo(113C)propanamide is CC(=O)[13C](=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-oxo(113C)propanamide?
The InChIKey is JKKHZEVHQJZTNQ-HOSYLAQJSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4(7)5(8)6(2)3/h1-3H3/i5+1.
What are the key properties of N,N-dimethyl-2-oxo(113C)propanamide?
N,N-dimethyl-2-oxo(113C)propanamide has a molecular weight of 116.12 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-dimethyl-2-oxo(113C)propanamide is sourced from PubChem (CID 25183889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).