1-(5-methylnonadec-5-en-4-yl)pyrrolidine-2,3-dione

C24H43NO2 — CID 68720899

IUPAC1-(5-methylnonadec-5-en-4-yl)pyrrolidine-2,3-dione
SMILESCCCCCCCCCCCCCC=C(C)C(CCC)N1CCC(=O)C1=O
InChIInChI=1S/C24H43NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-21(3)22(17-5-2)25-20-19-23(26)24(25)27/h18,22H,4-17,19-20H2,1-3H3
InChIKeyNIIYTJVIXDGOOL-UHFFFAOYSA-N
MW377.61 g/mol
LogP6.60
Rot. Bonds16

About 1-(5-methylnonadec-5-en-4-yl)pyrrolidine-2,3-dione

1-(5-methylnonadec-5-en-4-yl)pyrrolidine-2,3-dione (PubChem CID 68720899) has the molecular formula C24H43NO2 and a molecular weight of 377.61 g/mol. Its IUPAC name is 1-(5-methylnonadec-5-en-4-yl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(5-methylnonadec-5-en-4-yl)pyrrolidine-2,3-dione
PubChem CID68720899
Molecular FormulaC24H43NO2
Molecular Weight377.61 g/mol
Exact Mass377.33
IUPAC Name1-(5-methylnonadec-5-en-4-yl)pyrrolidine-2,3-dione
SMILESCCCCCCCCCCCCCC=C(C)C(CCC)N1CCC(=O)C1=O
InChIInChI=1S/C24H43NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-21(3)22(17-5-2)25-20-19-23(26)24(25)27/h18,22H,4-17,19-20H2,1-3H3
InChIKeyNIIYTJVIXDGOOL-UHFFFAOYSA-N
XLogP6.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.61
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylnonadec-5-en-4-yl)pyrrolidine-2,3-dione?
The IUPAC name of 1-(5-methylnonadec-5-en-4-yl)pyrrolidine-2,3-dione (CID 68720899) is 1-(5-methylnonadec-5-en-4-yl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-(5-methylnonadec-5-en-4-yl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-(5-methylnonadec-5-en-4-yl)pyrrolidine-2,3-dione is CCCCCCCCCCCCCC=C(C)C(CCC)N1CCC(=O)C1=O.
What is the InChIKey of 1-(5-methylnonadec-5-en-4-yl)pyrrolidine-2,3-dione?
The InChIKey is NIIYTJVIXDGOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-21(3)22(17-5-2)25-20-19-23(26)24(25)27/h18,22H,4-17,19-20H2,1-3H3.
What are the key properties of 1-(5-methylnonadec-5-en-4-yl)pyrrolidine-2,3-dione?
1-(5-methylnonadec-5-en-4-yl)pyrrolidine-2,3-dione has a molecular weight of 377.61 g/mol, XLogP of 6.60, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylnonadec-5-en-4-yl)pyrrolidine-2,3-dione is sourced from PubChem (CID 68720899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).