1-octadeca-1,3-dien-3-ylpyrrolidin-2-one

C22H39NO — CID 175797360

IUPAC1-octadeca-1,3-dien-3-ylpyrrolidin-2-one
SMILESC=CC(=CCCCCCCCCCCCCCC)N1CCCC1=O
InChIInChI=1S/C22H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21(4-2)23-20-17-19-22(23)24/h4,18H,2-3,5-17,19-20H2,1H3
InChIKeyYLSOADODLQOGEQ-UHFFFAOYSA-N
MW333.56 g/mol
LogP6.77
Rot. Bonds15

About 1-octadeca-1,3-dien-3-ylpyrrolidin-2-one

1-octadeca-1,3-dien-3-ylpyrrolidin-2-one (PubChem CID 175797360) has the molecular formula C22H39NO and a molecular weight of 333.56 g/mol. Its IUPAC name is 1-octadeca-1,3-dien-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-octadeca-1,3-dien-3-ylpyrrolidin-2-one
PubChem CID175797360
Molecular FormulaC22H39NO
Molecular Weight333.56 g/mol
Exact Mass333.30
IUPAC Name1-octadeca-1,3-dien-3-ylpyrrolidin-2-one
SMILESC=CC(=CCCCCCCCCCCCCCC)N1CCCC1=O
InChIInChI=1S/C22H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21(4-2)23-20-17-19-22(23)24/h4,18H,2-3,5-17,19-20H2,1H3
InChIKeyYLSOADODLQOGEQ-UHFFFAOYSA-N
XLogP6.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-1-iodooct-1-enyl]pyrrolidin-2-one
CID 134921298
1-[(E)-1-bromooct-1-enyl]pyrrolidin-2-one
CID 134988277
1-decanoylpyrrolidin-2-one
CID 11021000
1-(1-oxodeca-1,3-dien-4-yl)azepan-2-one
CID 57200818
1-[(E)-hexadec-4-en-4-yl]pyrrolidine-2,5-dione
CID 23220872
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
ethenyl hexadecanoate;1-methylpyrrolidin-2-one
CID 174931386
1-nonadec-18-enoylazepan-2-one
CID 19855822
(2-oxopyrrolidin-1-yl)methyl octadecanoate
CID 175360179
ethyl (Z)-octadec-9-enoate;1-methylpyrrolidin-2-one
CID 155338355
1-[(E)-octadec-9-enyl]azepan-2-one
CID 22476676

Frequently Asked Questions

What is the IUPAC name of 1-octadeca-1,3-dien-3-ylpyrrolidin-2-one?
The IUPAC name of 1-octadeca-1,3-dien-3-ylpyrrolidin-2-one (CID 175797360) is 1-octadeca-1,3-dien-3-ylpyrrolidin-2-one.
What is the SMILES notation for 1-octadeca-1,3-dien-3-ylpyrrolidin-2-one?
The canonical SMILES for 1-octadeca-1,3-dien-3-ylpyrrolidin-2-one is C=CC(=CCCCCCCCCCCCCCC)N1CCCC1=O.
What is the InChIKey of 1-octadeca-1,3-dien-3-ylpyrrolidin-2-one?
The InChIKey is YLSOADODLQOGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21(4-2)23-20-17-19-22(23)24/h4,18H,2-3,5-17,19-20H2,1H3.
What are the key properties of 1-octadeca-1,3-dien-3-ylpyrrolidin-2-one?
1-octadeca-1,3-dien-3-ylpyrrolidin-2-one has a molecular weight of 333.56 g/mol, XLogP of 6.77, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octadeca-1,3-dien-3-ylpyrrolidin-2-one is sourced from PubChem (CID 175797360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).