CID 175333596

C3H9NO — CID 175333596

IUPAC—
SMILESCN(C)C=O.[2H][2H]
InChIInChI=1S/C3H7NO.H2/c1-4(2)3-5;/h3H,1-2H3;1H/i;1+1D
InChIKeyZQPSVGIHJQFTDO-PJFXLBAMSA-N
MW77.12 g/mol
LogP-0.05
Rot. Bonds1

About CID 175333596

CID 175333596 (PubChem CID 175333596) has the molecular formula C3H9NO and a molecular weight of 77.12 g/mol.

Molecular Properties

Compound NameCID 175333596
PubChem CID175333596
Molecular FormulaC3H9NO
Molecular Weight77.12 g/mol
Exact Mass77.08
IUPAC Name—
SMILESCN(C)C=O.[2H][2H]
InChIInChI=1S/C3H7NO.H2/c1-4(2)3-5;/h3H,1-2H3;1H/i;1+1D
InChIKeyZQPSVGIHJQFTDO-PJFXLBAMSA-N
XLogP-0.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.12
LogP ≤ 5-0.05
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 175333596?
The IUPAC name of CID 175333596 (CID 175333596) is not available.
What is the SMILES notation for CID 175333596?
The canonical SMILES for CID 175333596 is CN(C)C=O.[2H][2H].
What is the InChIKey of CID 175333596?
The InChIKey is ZQPSVGIHJQFTDO-PJFXLBAMSA-N. The full InChI is InChI=1S/C3H7NO.H2/c1-4(2)3-5;/h3H,1-2H3;1H/i;1+1D.
What are the key properties of CID 175333596?
CID 175333596 has a molecular weight of 77.12 g/mol, XLogP of -0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175333596 is sourced from PubChem (CID 175333596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).