1-(3-methylideneoct-7-en-4-yl)pyrrolidin-2-one

C13H21NO — CID 143411989

IUPAC1-(3-methylideneoct-7-en-4-yl)pyrrolidin-2-one
SMILESC=CCCC(C(=C)CC)N1CCCC1=O
InChIInChI=1S/C13H21NO/c1-4-6-8-12(11(3)5-2)14-10-7-9-13(14)15/h4,12H,1,3,5-10H2,2H3
InChIKeyQPVZFHXSAXFABX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.91
Rot. Bonds6

About 1-(3-methylideneoct-7-en-4-yl)pyrrolidin-2-one

1-(3-methylideneoct-7-en-4-yl)pyrrolidin-2-one (PubChem CID 143411989) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3-methylideneoct-7-en-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-methylideneoct-7-en-4-yl)pyrrolidin-2-one
PubChem CID143411989
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(3-methylideneoct-7-en-4-yl)pyrrolidin-2-one
SMILESC=CCCC(C(=C)CC)N1CCCC1=O
InChIInChI=1S/C13H21NO/c1-4-6-8-12(11(3)5-2)14-10-7-9-13(14)15/h4,12H,1,3,5-10H2,2H3
InChIKeyQPVZFHXSAXFABX-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-acetyl-cis-2,5-diallylpyrrolidine
CID 129802387
l-Geranylazacyclopentan-2-one
CID 24875474
5,5-Bis(2-methylprop-2-enyl)-1-prop-2-enylpyrrolidin-2-one
CID 58193780
1-Octadec-1-en-3-ylpyrrolidin-2-one
CID 6454555
1-[(E)-oct-1-enyl]pyrrolidin-2-one
CID 18954376
1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]hept-6-en-1-one
CID 14784821
1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]oct-7-en-1-one
CID 14784829
1-But-3-enyl-5-ethenylpyrrolidin-2-one
CID 14942501
1-[(E)-but-2-enyl]-5-ethenylpyrrolidin-2-one
CID 14942504
3,5-Bis(ethenyl)-1-(2-methylidenebut-3-enyl)pyrrolidin-2-one
CID 85945189
N-(2,6-dimethylhepta-1,6-dien-4-yl)-N-prop-2-enylacetamide
CID 101720955
5-Ethenyl-1-hex-5-enylpyrrolidin-2-one
CID 121012339

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylideneoct-7-en-4-yl)pyrrolidin-2-one?
The IUPAC name of 1-(3-methylideneoct-7-en-4-yl)pyrrolidin-2-one (CID 143411989) is 1-(3-methylideneoct-7-en-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-methylideneoct-7-en-4-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-methylideneoct-7-en-4-yl)pyrrolidin-2-one is C=CCCC(C(=C)CC)N1CCCC1=O.
What is the InChIKey of 1-(3-methylideneoct-7-en-4-yl)pyrrolidin-2-one?
The InChIKey is QPVZFHXSAXFABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-6-8-12(11(3)5-2)14-10-7-9-13(14)15/h4,12H,1,3,5-10H2,2H3.
What are the key properties of 1-(3-methylideneoct-7-en-4-yl)pyrrolidin-2-one?
1-(3-methylideneoct-7-en-4-yl)pyrrolidin-2-one has a molecular weight of 207.32 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylideneoct-7-en-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 143411989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).