1-amino-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one

C9H13N2O2P — CID 20634519

IUPAC1-amino-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one
SMILESCC(=O)C(N)P(C)(=O)c1ccccn1
InChIInChI=1S/C9H13N2O2P/c1-7(12)9(10)14(2,13)8-5-3-4-6-11-8/h3-6,9H,10H2,1-2H3
InChIKeyUWXBPSGHTGDXDZ-UHFFFAOYSA-N
MW212.19 g/mol
LogP0.57
Rot. Bonds3

About 1-amino-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one

1-amino-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one (PubChem CID 20634519) has the molecular formula C9H13N2O2P and a molecular weight of 212.19 g/mol. Its IUPAC name is 1-amino-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one.

Molecular Properties

Compound Name1-amino-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one
PubChem CID20634519
Molecular FormulaC9H13N2O2P
Molecular Weight212.19 g/mol
Exact Mass212.07
IUPAC Name1-amino-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one
SMILESCC(=O)C(N)P(C)(=O)c1ccccn1
InChIInChI=1S/C9H13N2O2P/c1-7(12)9(10)14(2,13)8-5-3-4-6-11-8/h3-6,9H,10H2,1-2H3
InChIKeyUWXBPSGHTGDXDZ-UHFFFAOYSA-N
XLogP0.57
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-amino-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one?
The IUPAC name of 1-amino-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one (CID 20634519) is 1-amino-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one.
What is the SMILES notation for 1-amino-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one?
The canonical SMILES for 1-amino-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one is CC(=O)C(N)P(C)(=O)c1ccccn1.
What is the InChIKey of 1-amino-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one?
The InChIKey is UWXBPSGHTGDXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2O2P/c1-7(12)9(10)14(2,13)8-5-3-4-6-11-8/h3-6,9H,10H2,1-2H3.
What are the key properties of 1-amino-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one?
1-amino-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one has a molecular weight of 212.19 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one is sourced from PubChem (CID 20634519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).