CID 12729725

C3H6NO — CID 12729725

IUPAC—
SMILES[CH2]N(C)C=O
InChIInChI=1S/C3H6NO/c1-4(2)3-5/h3H,1H2,2H3
InChIKeyOUINKPYGAJBCBT-UHFFFAOYSA-N
MW72.09 g/mol
LogP-0.13
Rot. Bonds1

About CID 12729725

CID 12729725 (PubChem CID 12729725) has the molecular formula C3H6NO and a molecular weight of 72.09 g/mol.

Molecular Properties

Compound NameCID 12729725
PubChem CID12729725
Molecular FormulaC3H6NO
Molecular Weight72.09 g/mol
Exact Mass72.04
IUPAC Name—
SMILES[CH2]N(C)C=O
InChIInChI=1S/C3H6NO/c1-4(2)3-5/h3H,1H2,2H3
InChIKeyOUINKPYGAJBCBT-UHFFFAOYSA-N
XLogP-0.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.09
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 12729725?
The IUPAC name of CID 12729725 (CID 12729725) is not available.
What is the SMILES notation for CID 12729725?
The canonical SMILES for CID 12729725 is [CH2]N(C)C=O.
What is the InChIKey of CID 12729725?
The InChIKey is OUINKPYGAJBCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO/c1-4(2)3-5/h3H,1H2,2H3.
What are the key properties of CID 12729725?
CID 12729725 has a molecular weight of 72.09 g/mol, XLogP of -0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12729725 is sourced from PubChem (CID 12729725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).