1-ethenylpyrrolidin-2-one;hexadec-1-ene

C22H41NO — CID 66799425

IUPAC1-ethenylpyrrolidin-2-one;hexadec-1-ene
SMILESC=CCCCCCCCCCCCCCC.C=CN1CCCC1=O
InChIInChI=1S/C16H32.C6H9NO/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-2-7-5-3-4-6(7)8/h3H,1,4-16H2,2H3;2H,1,3-5H2
InChIKeyQYJTWZWJOOICMN-UHFFFAOYSA-N
MW335.58 g/mol
LogP7.02
Rot. Bonds14

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

1-ethenylpyrrolidin-2-one;hexadec-1-ene (PubChem CID 66799425) has the molecular formula C22H41NO and a molecular weight of 335.58 g/mol. Its IUPAC name is 1-ethenylpyrrolidin-2-one;hexadec-1-ene.

Molecular Properties

Compound Name1-ethenylpyrrolidin-2-one;hexadec-1-ene
PubChem CID66799425
Molecular FormulaC22H41NO
Molecular Weight335.58 g/mol
Exact Mass335.32
IUPAC Name1-ethenylpyrrolidin-2-one;hexadec-1-ene
SMILESC=CCCCCCCCCCCCCCC.C=CN1CCCC1=O
InChIInChI=1S/C16H32.C6H9NO/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-2-7-5-3-4-6(7)8/h3H,1,4-16H2,2H3;2H,1,3-5H2
InChIKeyQYJTWZWJOOICMN-UHFFFAOYSA-N
XLogP7.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 57.02
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;hexadec-1-ene?
The IUPAC name of 1-ethenylpyrrolidin-2-one;hexadec-1-ene (CID 66799425) is 1-ethenylpyrrolidin-2-one;hexadec-1-ene.
What is the SMILES notation for 1-ethenylpyrrolidin-2-one;hexadec-1-ene?
The canonical SMILES for 1-ethenylpyrrolidin-2-one;hexadec-1-ene is C=CCCCCCCCCCCCCCC.C=CN1CCCC1=O.
What is the InChIKey of 1-ethenylpyrrolidin-2-one;hexadec-1-ene?
The InChIKey is QYJTWZWJOOICMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32.C6H9NO/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-2-7-5-3-4-6(7)8/h3H,1,4-16H2,2H3;2H,1,3-5H2.
What are the key properties of 1-ethenylpyrrolidin-2-one;hexadec-1-ene?
1-ethenylpyrrolidin-2-one;hexadec-1-ene has a molecular weight of 335.58 g/mol, XLogP of 7.02, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrolidin-2-one;hexadec-1-ene is sourced from PubChem (CID 66799425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).