(5S)-1,5-bis(prop-2-enyl)pyrrolidin-2-one

C10H15NO — CID 11286664

IUPAC(5S)-1,5-bis(prop-2-enyl)pyrrolidin-2-one
SMILESC=CC[C@@H]1CCC(=O)N1CC=C
InChIInChI=1S/C10H15NO/c1-3-5-9-6-7-10(12)11(9)8-4-2/h3-4,9H,1-2,5-8H2/t9-/m1/s1
InChIKeyVVFNNFRWUBETKY-SECBINFHSA-N
MW165.24 g/mol
LogP1.74
Rot. Bonds4

About (5S)-1,5-bis(prop-2-enyl)pyrrolidin-2-one

(5S)-1,5-bis(prop-2-enyl)pyrrolidin-2-one (PubChem CID 11286664) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (5S)-1,5-bis(prop-2-enyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1,5-bis(prop-2-enyl)pyrrolidin-2-one
PubChem CID11286664
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(5S)-1,5-bis(prop-2-enyl)pyrrolidin-2-one
SMILESC=CC[C@@H]1CCC(=O)N1CC=C
InChIInChI=1S/C10H15NO/c1-3-5-9-6-7-10(12)11(9)8-4-2/h3-4,9H,1-2,5-8H2/t9-/m1/s1
InChIKeyVVFNNFRWUBETKY-SECBINFHSA-N
XLogP1.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
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 (5S)-1,5-bis(prop-2-enyl)pyrrolidin-2-one?
The IUPAC name of (5S)-1,5-bis(prop-2-enyl)pyrrolidin-2-one (CID 11286664) is (5S)-1,5-bis(prop-2-enyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-1,5-bis(prop-2-enyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-1,5-bis(prop-2-enyl)pyrrolidin-2-one is C=CC[C@@H]1CCC(=O)N1CC=C.
What is the InChIKey of (5S)-1,5-bis(prop-2-enyl)pyrrolidin-2-one?
The InChIKey is VVFNNFRWUBETKY-SECBINFHSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-5-9-6-7-10(12)11(9)8-4-2/h3-4,9H,1-2,5-8H2/t9-/m1/s1.
What are the key properties of (5S)-1,5-bis(prop-2-enyl)pyrrolidin-2-one?
(5S)-1,5-bis(prop-2-enyl)pyrrolidin-2-one has a molecular weight of 165.24 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,5-bis(prop-2-enyl)pyrrolidin-2-one is sourced from PubChem (CID 11286664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).