(4S)-4-(2-methylpent-4-enyl)-1-propan-2-ylpyrrolidin-2-one

C13H23NO — CID 59109331

IUPAC(4S)-4-(2-methylpent-4-enyl)-1-propan-2-ylpyrrolidin-2-one
SMILESC=CCC(C)C[C@H]1CC(=O)N(C(C)C)C1
InChIInChI=1S/C13H23NO/c1-5-6-11(4)7-12-8-13(15)14(9-12)10(2)3/h5,10-12H,1,6-9H2,2-4H3/t11?,12-/m0/s1
InChIKeyABIMPPBJVUOKMM-KIYNQFGBSA-N
MW209.33 g/mol
LogP2.85
Rot. Bonds5

About (4S)-4-(2-methylpent-4-enyl)-1-propan-2-ylpyrrolidin-2-one

(4S)-4-(2-methylpent-4-enyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 59109331) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (4S)-4-(2-methylpent-4-enyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2-methylpent-4-enyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID59109331
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(4S)-4-(2-methylpent-4-enyl)-1-propan-2-ylpyrrolidin-2-one
SMILESC=CCC(C)C[C@H]1CC(=O)N(C(C)C)C1
InChIInChI=1S/C13H23NO/c1-5-6-11(4)7-12-8-13(15)14(9-12)10(2)3/h5,10-12H,1,6-9H2,2-4H3/t11?,12-/m0/s1
InChIKeyABIMPPBJVUOKMM-KIYNQFGBSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.85
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 (4S)-4-(2-methylpent-4-enyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4S)-4-(2-methylpent-4-enyl)-1-propan-2-ylpyrrolidin-2-one (CID 59109331) is (4S)-4-(2-methylpent-4-enyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(2-methylpent-4-enyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-(2-methylpent-4-enyl)-1-propan-2-ylpyrrolidin-2-one is C=CCC(C)C[C@H]1CC(=O)N(C(C)C)C1.
What is the InChIKey of (4S)-4-(2-methylpent-4-enyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is ABIMPPBJVUOKMM-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-6-11(4)7-12-8-13(15)14(9-12)10(2)3/h5,10-12H,1,6-9H2,2-4H3/t11?,12-/m0/s1.
What are the key properties of (4S)-4-(2-methylpent-4-enyl)-1-propan-2-ylpyrrolidin-2-one?
(4S)-4-(2-methylpent-4-enyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 209.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methylpent-4-enyl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 59109331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).