(3R)-3-[(E,2S)-2-methylpent-3-enyl]pyrrolidin-2-one

C10H17NO — CID 59879618

IUPAC(3R)-3-[(E,2S)-2-methylpent-3-enyl]pyrrolidin-2-one
SMILESC/C=C/[C@@H](C)C[C@@H]1CCNC1=O
InChIInChI=1S/C10H17NO/c1-3-4-8(2)7-9-5-6-11-10(9)12/h3-4,8-9H,5-7H2,1-2H3,(H,11,12)/b4-3+/t8-,9+/m1/s1
InChIKeySBQCANWELKJQCD-BKIAHZASSA-N
MW167.25 g/mol
LogP1.72
Rot. Bonds3

About (3R)-3-[(E,2S)-2-methylpent-3-enyl]pyrrolidin-2-one

(3R)-3-[(E,2S)-2-methylpent-3-enyl]pyrrolidin-2-one (PubChem CID 59879618) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3R)-3-[(E,2S)-2-methylpent-3-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(E,2S)-2-methylpent-3-enyl]pyrrolidin-2-one
PubChem CID59879618
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3R)-3-[(E,2S)-2-methylpent-3-enyl]pyrrolidin-2-one
SMILESC/C=C/[C@@H](C)C[C@@H]1CCNC1=O
InChIInChI=1S/C10H17NO/c1-3-4-8(2)7-9-5-6-11-10(9)12/h3-4,8-9H,5-7H2,1-2H3,(H,11,12)/b4-3+/t8-,9+/m1/s1
InChIKeySBQCANWELKJQCD-BKIAHZASSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R)-3-[(E,2S)-2-methylpent-3-enyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(E,2S)-2-methylpent-3-enyl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-[(E,2S)-2-methylpent-3-enyl]pyrrolidin-2-one (CID 59879618) is (3R)-3-[(E,2S)-2-methylpent-3-enyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[(E,2S)-2-methylpent-3-enyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[(E,2S)-2-methylpent-3-enyl]pyrrolidin-2-one is C/C=C/[C@@H](C)C[C@@H]1CCNC1=O.
What is the InChIKey of (3R)-3-[(E,2S)-2-methylpent-3-enyl]pyrrolidin-2-one?
The InChIKey is SBQCANWELKJQCD-BKIAHZASSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-8(2)7-9-5-6-11-10(9)12/h3-4,8-9H,5-7H2,1-2H3,(H,11,12)/b4-3+/t8-,9+/m1/s1.
What are the key properties of (3R)-3-[(E,2S)-2-methylpent-3-enyl]pyrrolidin-2-one?
(3R)-3-[(E,2S)-2-methylpent-3-enyl]pyrrolidin-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(E,2S)-2-methylpent-3-enyl]pyrrolidin-2-one is sourced from PubChem (CID 59879618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).