1-methyl-3-phosphanylpyrrolidin-2-one

C5H10NOP — CID 90168334

IUPAC1-methyl-3-phosphanylpyrrolidin-2-one
SMILESCN1CCC(P)C1=O
InChIInChI=1S/C5H10NOP/c1-6-3-2-4(8)5(6)7/h4H,2-3,8H2,1H3
InChIKeyLWYUDWRKCQGLFK-UHFFFAOYSA-N
MW131.12 g/mol
LogP0.09
Rot. Bonds

About 1-methyl-3-phosphanylpyrrolidin-2-one

1-methyl-3-phosphanylpyrrolidin-2-one (PubChem CID 90168334) has the molecular formula C5H10NOP and a molecular weight of 131.12 g/mol. Its IUPAC name is 1-methyl-3-phosphanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-phosphanylpyrrolidin-2-one
PubChem CID90168334
Molecular FormulaC5H10NOP
Molecular Weight131.12 g/mol
Exact Mass131.05
IUPAC Name1-methyl-3-phosphanylpyrrolidin-2-one
SMILESCN1CCC(P)C1=O
InChIInChI=1S/C5H10NOP/c1-6-3-2-4(8)5(6)7/h4H,2-3,8H2,1H3
InChIKeyLWYUDWRKCQGLFK-UHFFFAOYSA-N
XLogP0.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.12
LogP ≤ 50.09
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

1,3-dimethylpyrrolidin-2-one;ethane
CID 142056309
(3S)-1,3-dimethylpyrrolidin-2-one;ethane
CID 144550831
3-amino-1-methylpyrrolidin-2-one;hydrochloride
CID 67280315
(3R)-3-tert-butyl-1-methylpyrrolidin-2-one
CID 155363836
(3S)-1-methyl-3-(methylamino)pyrrolidin-2-one
CID 94236128
1,3-dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one)
CID 160661672
CID 171819218
CID 171819218
(3S)-3-amino-1-methylpiperidin-2-one
CID 67416126
(3R)-1-methyl-3-prop-2-enylpyrrolidin-2-one
CID 129366009
3-methyl-7-propan-2-yl-3-azabicyclo[4.1.0]heptan-2-one
CID 164726704
1-methyl-2-oxo-3-(sulfamoylamino)pyrrolidine
CID 103682335
3-(3-bromo-2-oxopyrrolidin-1-yl)-1-methylpyrrolidin-2-one
CID 106254149

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phosphanylpyrrolidin-2-one?
The IUPAC name of 1-methyl-3-phosphanylpyrrolidin-2-one (CID 90168334) is 1-methyl-3-phosphanylpyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-phosphanylpyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-phosphanylpyrrolidin-2-one is CN1CCC(P)C1=O.
What is the InChIKey of 1-methyl-3-phosphanylpyrrolidin-2-one?
The InChIKey is LWYUDWRKCQGLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NOP/c1-6-3-2-4(8)5(6)7/h4H,2-3,8H2,1H3.
What are the key properties of 1-methyl-3-phosphanylpyrrolidin-2-one?
1-methyl-3-phosphanylpyrrolidin-2-one has a molecular weight of 131.12 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phosphanylpyrrolidin-2-one is sourced from PubChem (CID 90168334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).