(3S,5R)-3,5-bis(ethenyl)pyrrolidin-2-one

C8H11NO — CID 55299708

IUPAC(3S,5R)-3,5-bis(ethenyl)pyrrolidin-2-one
SMILESC=C[C@@H]1C[C@H](C=C)NC1=O
InChIInChI=1S/C8H11NO/c1-3-6-5-7(4-2)9-8(6)10/h3-4,6-7H,1-2,5H2,(H,9,10)/t6-,7+/m1/s1
InChIKeyAAEAYJKXSJXALG-RQJHMYQMSA-N
MW137.18 g/mol
LogP0.86
Rot. Bonds2

About (3S,5R)-3,5-bis(ethenyl)pyrrolidin-2-one

(3S,5R)-3,5-bis(ethenyl)pyrrolidin-2-one (PubChem CID 55299708) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (3S,5R)-3,5-bis(ethenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5R)-3,5-bis(ethenyl)pyrrolidin-2-one
PubChem CID55299708
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(3S,5R)-3,5-bis(ethenyl)pyrrolidin-2-one
SMILESC=C[C@@H]1C[C@H](C=C)NC1=O
InChIInChI=1S/C8H11NO/c1-3-6-5-7(4-2)9-8(6)10/h3-4,6-7H,1-2,5H2,(H,9,10)/t6-,7+/m1/s1
InChIKeyAAEAYJKXSJXALG-RQJHMYQMSA-N
XLogP0.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3,5-bis(ethenyl)pyrrolidin-2-one?
The IUPAC name of (3S,5R)-3,5-bis(ethenyl)pyrrolidin-2-one (CID 55299708) is (3S,5R)-3,5-bis(ethenyl)pyrrolidin-2-one.
What is the SMILES notation for (3S,5R)-3,5-bis(ethenyl)pyrrolidin-2-one?
The canonical SMILES for (3S,5R)-3,5-bis(ethenyl)pyrrolidin-2-one is C=C[C@@H]1C[C@H](C=C)NC1=O.
What is the InChIKey of (3S,5R)-3,5-bis(ethenyl)pyrrolidin-2-one?
The InChIKey is AAEAYJKXSJXALG-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-6-5-7(4-2)9-8(6)10/h3-4,6-7H,1-2,5H2,(H,9,10)/t6-,7+/m1/s1.
What are the key properties of (3S,5R)-3,5-bis(ethenyl)pyrrolidin-2-one?
(3S,5R)-3,5-bis(ethenyl)pyrrolidin-2-one has a molecular weight of 137.18 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3,5-bis(ethenyl)pyrrolidin-2-one is sourced from PubChem (CID 55299708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).