deuterio(phosphanyl)methanone

CH3OP — CID 58890181

IUPACdeuterio(phosphanyl)methanone
SMILES[2H]C(=O)P
InChIInChI=1S/CH3OP/c2-1-3/h1H,3H2/i1D
InChIKeyWHPGTGCDKMKRNH-MICDWDOJSA-N
MW63.01 g/mol
LogP0.05
Rot. Bonds

About deuterio(phosphanyl)methanone

deuterio(phosphanyl)methanone (PubChem CID 58890181) has the molecular formula CH3OP and a molecular weight of 63.01 g/mol. Its IUPAC name is deuterio(phosphanyl)methanone.

Molecular Properties

Compound Namedeuterio(phosphanyl)methanone
PubChem CID58890181
Molecular FormulaCH3OP
Molecular Weight63.01 g/mol
Exact Mass63.00
IUPAC Namedeuterio(phosphanyl)methanone
SMILES[2H]C(=O)P
InChIInChI=1S/CH3OP/c2-1-3/h1H,3H2/i1D
InChIKeyWHPGTGCDKMKRNH-MICDWDOJSA-N
XLogP0.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50063.01
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of deuterio(phosphanyl)methanone?
The IUPAC name of deuterio(phosphanyl)methanone (CID 58890181) is deuterio(phosphanyl)methanone.
What is the SMILES notation for deuterio(phosphanyl)methanone?
The canonical SMILES for deuterio(phosphanyl)methanone is [2H]C(=O)P.
What is the InChIKey of deuterio(phosphanyl)methanone?
The InChIKey is WHPGTGCDKMKRNH-MICDWDOJSA-N. The full InChI is InChI=1S/CH3OP/c2-1-3/h1H,3H2/i1D.
What are the key properties of deuterio(phosphanyl)methanone?
deuterio(phosphanyl)methanone has a molecular weight of 63.01 g/mol, XLogP of 0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio(phosphanyl)methanone is sourced from PubChem (CID 58890181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).