4-ethyl-1-phosphanylpyrrolidin-2-one

C6H12NOP — CID 123863905

IUPAC4-ethyl-1-phosphanylpyrrolidin-2-one
SMILESCCC1CC(=O)N(P)C1
InChIInChI=1S/C6H12NOP/c1-2-5-3-6(8)7(9)4-5/h5H,2-4,9H2,1H3
InChIKeyJQKLSHBTUSAQJJ-UHFFFAOYSA-N
MW145.14 g/mol
LogP1.03
Rot. Bonds1

About 4-ethyl-1-phosphanylpyrrolidin-2-one

4-ethyl-1-phosphanylpyrrolidin-2-one (PubChem CID 123863905) has the molecular formula C6H12NOP and a molecular weight of 145.14 g/mol. Its IUPAC name is 4-ethyl-1-phosphanylpyrrolidin-2-one.

Molecular Properties

Compound Name4-ethyl-1-phosphanylpyrrolidin-2-one
PubChem CID123863905
Molecular FormulaC6H12NOP
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC Name4-ethyl-1-phosphanylpyrrolidin-2-one
SMILESCCC1CC(=O)N(P)C1
InChIInChI=1S/C6H12NOP/c1-2-5-3-6(8)7(9)4-5/h5H,2-4,9H2,1H3
InChIKeyJQKLSHBTUSAQJJ-UHFFFAOYSA-N
XLogP1.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 51.03
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-(1-amino-2-methylpropan-2-yl)-4-ethylpyrrolidin-2-one
CID 104523323
2-(4-ethyl-2-oxopyrrolidin-1-yl)acetonitrile
CID 115825255
1-(azetidin-3-ylmethyl)-4-ethylpyrrolidin-2-one
CID 130530923
3-(4-ethyl-2-oxopyrrolidin-1-yl)propanenitrile
CID 115825252
4-(2-chloro-2,2-difluoroethyl)-1-phosphanylpyrrolidin-2-one;4-(2-chloro-2,2-difluoroethyl)pyrrolidin-2-one;diiodomethane;triiodide
CID 159631040
6-ethyl-3-propyl-1,3-diazepane-2,4-dione
CID 81070578
1-cyclopropyl-4-ethylpiperidin-2-one
CID 153405056
1-(2-cyclopentyl-2-hydroxyethyl)-4-ethylpyrrolidin-2-one
CID 104753333
6-ethyl-1-methyl-1,4-diazepan-2-one
CID 135123090
(5R)-5-ethyl-1-methylpiperidin-2-one
CID 170386664
4-ethyl-1-(5-hydroxy-2,2-dimethylcyclohexyl)pyrrolidin-2-one
CID 165498655
(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674784

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-phosphanylpyrrolidin-2-one?
The IUPAC name of 4-ethyl-1-phosphanylpyrrolidin-2-one (CID 123863905) is 4-ethyl-1-phosphanylpyrrolidin-2-one.
What is the SMILES notation for 4-ethyl-1-phosphanylpyrrolidin-2-one?
The canonical SMILES for 4-ethyl-1-phosphanylpyrrolidin-2-one is CCC1CC(=O)N(P)C1.
What is the InChIKey of 4-ethyl-1-phosphanylpyrrolidin-2-one?
The InChIKey is JQKLSHBTUSAQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NOP/c1-2-5-3-6(8)7(9)4-5/h5H,2-4,9H2,1H3.
What are the key properties of 4-ethyl-1-phosphanylpyrrolidin-2-one?
4-ethyl-1-phosphanylpyrrolidin-2-one has a molecular weight of 145.14 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-phosphanylpyrrolidin-2-one is sourced from PubChem (CID 123863905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).