1,4-dimethyl-3-(2-phosphanylethyl)azetidin-2-one

C7H14NOP — CID 163862461

IUPAC1,4-dimethyl-3-(2-phosphanylethyl)azetidin-2-one
SMILESCC1C(CCP)C(=O)N1C
InChIInChI=1S/C7H14NOP/c1-5-6(3-4-10)7(9)8(5)2/h5-6H,3-4,10H2,1-2H3
InChIKeyPDTFUMXJMNVASV-UHFFFAOYSA-N
MW159.17 g/mol
LogP0.73
Rot. Bonds2

About 1,4-dimethyl-3-(2-phosphanylethyl)azetidin-2-one

1,4-dimethyl-3-(2-phosphanylethyl)azetidin-2-one (PubChem CID 163862461) has the molecular formula C7H14NOP and a molecular weight of 159.17 g/mol. Its IUPAC name is 1,4-dimethyl-3-(2-phosphanylethyl)azetidin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-3-(2-phosphanylethyl)azetidin-2-one
PubChem CID163862461
Molecular FormulaC7H14NOP
Molecular Weight159.17 g/mol
Exact Mass159.08
IUPAC Name1,4-dimethyl-3-(2-phosphanylethyl)azetidin-2-one
SMILESCC1C(CCP)C(=O)N1C
InChIInChI=1S/C7H14NOP/c1-5-6(3-4-10)7(9)8(5)2/h5-6H,3-4,10H2,1-2H3
InChIKeyPDTFUMXJMNVASV-UHFFFAOYSA-N
XLogP0.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-1,4-dimethylazetidin-2-one
CID 20715925
1,4-dimethyl-3-[[methyl(phosphanyl)amino]methyl]azetidin-2-one
CID 20715761
(3S,4S)-1,4-dimethyl-3-prop-2-enylazetidin-2-one
CID 11286503
(3S,4R)-1,3,4-trimethylazetidin-2-one
CID 59947134
2-(1,2-dimethyl-4-oxoazetidin-3-yl)ethanimidamide
CID 20715800
1,2,4-trimethyl-5-oxopyrrolidine-3-carboxylic acid
CID 54373210
1,5,7-trimethyl-6-propanoyl-3-propylazepan-2-one
CID 143541081
4-(aminomethyl)-3-methyl-3-azabicyclo[3.1.0]hexan-2-one
CID 105428130
2-(2-bromoethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512941
(4S,5S)-1,3,3,4,5-pentamethylpyrrolidin-2-one
CID 59868897
3-butyl-1,4-dimethylpyrrolidine-2,5-dione;ethane
CID 144937454
1,3-dimethyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
CID 87233904

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-(2-phosphanylethyl)azetidin-2-one?
The IUPAC name of 1,4-dimethyl-3-(2-phosphanylethyl)azetidin-2-one (CID 163862461) is 1,4-dimethyl-3-(2-phosphanylethyl)azetidin-2-one.
What is the SMILES notation for 1,4-dimethyl-3-(2-phosphanylethyl)azetidin-2-one?
The canonical SMILES for 1,4-dimethyl-3-(2-phosphanylethyl)azetidin-2-one is CC1C(CCP)C(=O)N1C.
What is the InChIKey of 1,4-dimethyl-3-(2-phosphanylethyl)azetidin-2-one?
The InChIKey is PDTFUMXJMNVASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NOP/c1-5-6(3-4-10)7(9)8(5)2/h5-6H,3-4,10H2,1-2H3.
What are the key properties of 1,4-dimethyl-3-(2-phosphanylethyl)azetidin-2-one?
1,4-dimethyl-3-(2-phosphanylethyl)azetidin-2-one has a molecular weight of 159.17 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-(2-phosphanylethyl)azetidin-2-one is sourced from PubChem (CID 163862461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).