CID 59957402

C4H5NO — CID 59957402

IUPAC—
SMILES[CH]N([CH])C(C)=O
InChIInChI=1S/C4H5NO/c1-4(6)5(2)3/h2-3H,1H3
InChIKeyFHXHGBCCEUOAPP-UHFFFAOYSA-N
MW83.09 g/mol
LogP0.17
Rot. Bonds

About CID 59957402

CID 59957402 (PubChem CID 59957402) has the molecular formula C4H5NO and a molecular weight of 83.09 g/mol.

Molecular Properties

Compound NameCID 59957402
PubChem CID59957402
Molecular FormulaC4H5NO
Molecular Weight83.09 g/mol
Exact Mass83.04
IUPAC Name—
SMILES[CH]N([CH])C(C)=O
InChIInChI=1S/C4H5NO/c1-4(6)5(2)3/h2-3H,1H3
InChIKeyFHXHGBCCEUOAPP-UHFFFAOYSA-N
XLogP0.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.09
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N,N-dimethylacetamide;molecular iodine
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CID 174584376
lithium;N,N-dimethylacetamide;chloride
CID 87129072
N,N-dimethylacetamide;formaldehyde
CID 54040691
N',N'-bis[acetyl(methyl)amino]-N-methylacetohydrazide
CID 154092768
N-acetyl-N-hydroxyacetamide;formaldehyde
CID 144940058
N-acetyl-N-methylacetamide;ethane;methane
CID 158491582
bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide
CID 173055527

Frequently Asked Questions

What is the IUPAC name of CID 59957402?
The IUPAC name of CID 59957402 (CID 59957402) is not available.
What is the SMILES notation for CID 59957402?
The canonical SMILES for CID 59957402 is [CH]N([CH])C(C)=O.
What is the InChIKey of CID 59957402?
The InChIKey is FHXHGBCCEUOAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO/c1-4(6)5(2)3/h2-3H,1H3.
What are the key properties of CID 59957402?
CID 59957402 has a molecular weight of 83.09 g/mol, XLogP of 0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59957402 is sourced from PubChem (CID 59957402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).