1-[1,2-bis(phosphanyl)ethyl]pyrrolidin-2-one

C6H13NOP2 — CID 131751496

IUPAC1-[1,2-bis(phosphanyl)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(P)CP
InChIInChI=1S/C6H13NOP2/c8-5-2-1-3-7(5)6(10)4-9/h6H,1-4,9-10H2
InChIKeyLQIAZOCLNBBZQK-UHFFFAOYSA-N
MW177.12 g/mol
LogP0.69
Rot. Bonds2

About 1-[1,2-bis(phosphanyl)ethyl]pyrrolidin-2-one

1-[1,2-bis(phosphanyl)ethyl]pyrrolidin-2-one (PubChem CID 131751496) has the molecular formula C6H13NOP2 and a molecular weight of 177.12 g/mol. Its IUPAC name is 1-[1,2-bis(phosphanyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1,2-bis(phosphanyl)ethyl]pyrrolidin-2-one
PubChem CID131751496
Molecular FormulaC6H13NOP2
Molecular Weight177.12 g/mol
Exact Mass177.05
IUPAC Name1-[1,2-bis(phosphanyl)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(P)CP
InChIInChI=1S/C6H13NOP2/c8-5-2-1-3-7(5)6(10)4-9/h6H,1-4,9-10H2
InChIKeyLQIAZOCLNBBZQK-UHFFFAOYSA-N
XLogP0.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 50.69
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-[(2R)-1-hydroxypropan-2-yl]pyrrolidin-2-one
CID 104550452
acetylene;1-propan-2-ylpyrrolidin-2-one
CID 178109061
1-[(3R)-hexan-3-yl]pyrrolidin-2-one
CID 142812030
1-[1,2-bis(methylsulfanyl)ethyl]pyrrolidin-2-one
CID 123282095
1-(1-aminobutan-2-yl)pyrrolidin-2-one
CID 15788316
1-[(2S)-pentan-2-yl]pyrrolidin-2-one
CID 102393193
1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one
CID 173130930
1-(5,5-dimethylhexan-3-yl)pyrrolidin-2-one;ethane
CID 142297493
1-(1-aminopentan-2-yl)pyrrolidin-2-one
CID 65191937
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one
CID 107861552
1-propan-2-ylazonan-2-one
CID 101216305
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377

Frequently Asked Questions

What is the IUPAC name of 1-[1,2-bis(phosphanyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[1,2-bis(phosphanyl)ethyl]pyrrolidin-2-one (CID 131751496) is 1-[1,2-bis(phosphanyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1,2-bis(phosphanyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[1,2-bis(phosphanyl)ethyl]pyrrolidin-2-one is O=C1CCCN1C(P)CP.
What is the InChIKey of 1-[1,2-bis(phosphanyl)ethyl]pyrrolidin-2-one?
The InChIKey is LQIAZOCLNBBZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOP2/c8-5-2-1-3-7(5)6(10)4-9/h6H,1-4,9-10H2.
What are the key properties of 1-[1,2-bis(phosphanyl)ethyl]pyrrolidin-2-one?
1-[1,2-bis(phosphanyl)ethyl]pyrrolidin-2-one has a molecular weight of 177.12 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2-bis(phosphanyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 131751496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).