CID 59966952

C3H5NO — CID 59966952

IUPAC—
SMILES[CH]NC(C)=O
InChIInChI=1S/C3H5NO/c1-3(5)4-2/h2H,1H3,(H,4,5)
InChIKeyWVUKPISWADCGGD-UHFFFAOYSA-N
MW71.08 g/mol
LogP-0.21
Rot. Bonds

About CID 59966952

CID 59966952 (PubChem CID 59966952) has the molecular formula C3H5NO and a molecular weight of 71.08 g/mol.

Molecular Properties

Compound NameCID 59966952
PubChem CID59966952
Molecular FormulaC3H5NO
Molecular Weight71.08 g/mol
Exact Mass71.04
IUPAC Name—
SMILES[CH]NC(C)=O
InChIInChI=1S/C3H5NO/c1-3(5)4-2/h2H,1H3,(H,4,5)
InChIKeyWVUKPISWADCGGD-UHFFFAOYSA-N
XLogP-0.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.08
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59966952?
The IUPAC name of CID 59966952 (CID 59966952) is not available.
What is the SMILES notation for CID 59966952?
The canonical SMILES for CID 59966952 is [CH]NC(C)=O.
What is the InChIKey of CID 59966952?
The InChIKey is WVUKPISWADCGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO/c1-3(5)4-2/h2H,1H3,(H,4,5).
What are the key properties of CID 59966952?
CID 59966952 has a molecular weight of 71.08 g/mol, XLogP of -0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59966952 is sourced from PubChem (CID 59966952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).