1-ethenylpyrrolidin-2-one;triacont-1-ene

C36H69NO — CID 68740004

IUPAC1-ethenylpyrrolidin-2-one;triacont-1-ene
SMILESC=CCCCCCCCCCCCCCCCCCCCCCCCCCCCC.C=CN1CCCC1=O
InChIInChI=1S/C30H60.C6H9NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-7-5-3-4-6(7)8/h3H,1,4-30H2,2H3;2H,1,3-5H2
InChIKeyRSMKBCHJQHKCPU-UHFFFAOYSA-N
MW531.95 g/mol
LogP12.48
Rot. Bonds28

About 1-ethenylpyrrolidin-2-one;triacont-1-ene

1-ethenylpyrrolidin-2-one;triacont-1-ene (PubChem CID 68740004) has the molecular formula C36H69NO and a molecular weight of 531.95 g/mol. Its IUPAC name is 1-ethenylpyrrolidin-2-one;triacont-1-ene.

Molecular Properties

Compound Name1-ethenylpyrrolidin-2-one;triacont-1-ene
PubChem CID68740004
Molecular FormulaC36H69NO
Molecular Weight531.95 g/mol
Exact Mass531.54
IUPAC Name1-ethenylpyrrolidin-2-one;triacont-1-ene
SMILESC=CCCCCCCCCCCCCCCCCCCCCCCCCCCCC.C=CN1CCCC1=O
InChIInChI=1S/C30H60.C6H9NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-7-5-3-4-6(7)8/h3H,1,4-30H2,2H3;2H,1,3-5H2
InChIKeyRSMKBCHJQHKCPU-UHFFFAOYSA-N
XLogP12.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.95
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyrrolidin-2-one;triacont-1-ene?
The IUPAC name of 1-ethenylpyrrolidin-2-one;triacont-1-ene (CID 68740004) is 1-ethenylpyrrolidin-2-one;triacont-1-ene.
What is the SMILES notation for 1-ethenylpyrrolidin-2-one;triacont-1-ene?
The canonical SMILES for 1-ethenylpyrrolidin-2-one;triacont-1-ene is C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCC.C=CN1CCCC1=O.
What is the InChIKey of 1-ethenylpyrrolidin-2-one;triacont-1-ene?
The InChIKey is RSMKBCHJQHKCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60.C6H9NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-7-5-3-4-6(7)8/h3H,1,4-30H2,2H3;2H,1,3-5H2.
What are the key properties of 1-ethenylpyrrolidin-2-one;triacont-1-ene?
1-ethenylpyrrolidin-2-one;triacont-1-ene has a molecular weight of 531.95 g/mol, XLogP of 12.48, 28 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrolidin-2-one;triacont-1-ene is sourced from PubChem (CID 68740004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).