4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-1H-pyridin-2-one

C13H20NO3P — CID 156844231

IUPAC4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-1H-pyridin-2-one
SMILESCCOP(C)(=O)C[C@H](c1cc[nH]c(=O)c1)C1CC1
InChIInChI=1S/C13H20NO3P/c1-3-17-18(2,16)9-12(10-4-5-10)11-6-7-14-13(15)8-11/h6-8,10,12H,3-5,9H2,1-2H3,(H,14,15)/t12-,18?/m0/s1
InChIKeyBLTKPORTXRZOHT-RSXQAXDFSA-N
MW269.28 g/mol
LogP2.81
Rot. Bonds6

About 4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-1H-pyridin-2-one

4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-1H-pyridin-2-one (PubChem CID 156844231) has the molecular formula C13H20NO3P and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-1H-pyridin-2-one
PubChem CID156844231
Molecular FormulaC13H20NO3P
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-1H-pyridin-2-one
SMILESCCOP(C)(=O)C[C@H](c1cc[nH]c(=O)c1)C1CC1
InChIInChI=1S/C13H20NO3P/c1-3-17-18(2,16)9-12(10-4-5-10)11-6-7-14-13(15)8-11/h6-8,10,12H,3-5,9H2,1-2H3,(H,14,15)/t12-,18?/m0/s1
InChIKeyBLTKPORTXRZOHT-RSXQAXDFSA-N
XLogP2.81
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-1H-pyridin-2-one?
The IUPAC name of 4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-1H-pyridin-2-one (CID 156844231) is 4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-1H-pyridin-2-one is CCOP(C)(=O)C[C@H](c1cc[nH]c(=O)c1)C1CC1.
What is the InChIKey of 4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-1H-pyridin-2-one?
The InChIKey is BLTKPORTXRZOHT-RSXQAXDFSA-N. The full InChI is InChI=1S/C13H20NO3P/c1-3-17-18(2,16)9-12(10-4-5-10)11-6-7-14-13(15)8-11/h6-8,10,12H,3-5,9H2,1-2H3,(H,14,15)/t12-,18?/m0/s1.
What are the key properties of 4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-1H-pyridin-2-one?
4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-1H-pyridin-2-one has a molecular weight of 269.28 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 156844231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).