1-[(Z)-oct-5-en-2-yl]pyrrolidin-2-one

C12H21NO — CID 122646586

IUPAC1-[(Z)-oct-5-en-2-yl]pyrrolidin-2-one
SMILESCC/C=C\CCC(C)N1CCCC1=O
InChIInChI=1S/C12H21NO/c1-3-4-5-6-8-11(2)13-10-7-9-12(13)14/h4-5,11H,3,6-10H2,1-2H3/b5-4-
InChIKeySUYUGCROHTWZTQ-PLNGDYQASA-N
MW195.31 g/mol
LogP2.74
Rot. Bonds5

About 1-[(Z)-oct-5-en-2-yl]pyrrolidin-2-one

1-[(Z)-oct-5-en-2-yl]pyrrolidin-2-one (PubChem CID 122646586) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-[(Z)-oct-5-en-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(Z)-oct-5-en-2-yl]pyrrolidin-2-one
PubChem CID122646586
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-[(Z)-oct-5-en-2-yl]pyrrolidin-2-one
SMILESCC/C=C\CCC(C)N1CCCC1=O
InChIInChI=1S/C12H21NO/c1-3-4-5-6-8-11(2)13-10-7-9-12(13)14/h4-5,11H,3,6-10H2,1-2H3/b5-4-
InChIKeySUYUGCROHTWZTQ-PLNGDYQASA-N
XLogP2.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(Z)-oct-5-en-2-yl]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 1-[(Z)-oct-5-en-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(Z)-oct-5-en-2-yl]pyrrolidin-2-one (CID 122646586) is 1-[(Z)-oct-5-en-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(Z)-oct-5-en-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(Z)-oct-5-en-2-yl]pyrrolidin-2-one is CC/C=C\CCC(C)N1CCCC1=O.
What is the InChIKey of 1-[(Z)-oct-5-en-2-yl]pyrrolidin-2-one?
The InChIKey is SUYUGCROHTWZTQ-PLNGDYQASA-N. The full InChI is InChI=1S/C12H21NO/c1-3-4-5-6-8-11(2)13-10-7-9-12(13)14/h4-5,11H,3,6-10H2,1-2H3/b5-4-.
What are the key properties of 1-[(Z)-oct-5-en-2-yl]pyrrolidin-2-one?
1-[(Z)-oct-5-en-2-yl]pyrrolidin-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-oct-5-en-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 122646586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).