1-(7-methyltricos-6-en-8-yl)pyrrolidine-2,3-dione

C28H51NO2 — CID 68720848

IUPAC1-(7-methyltricos-6-en-8-yl)pyrrolidine-2,3-dione
SMILESCCCCCC=C(C)C(CCCCCCCCCCCCCCC)N1CCC(=O)C1=O
InChIInChI=1S/C28H51NO2/c1-4-6-8-10-11-12-13-14-15-16-17-18-20-22-26(25(3)21-19-9-7-5-2)29-24-23-27(30)28(29)31/h21,26H,4-20,22-24H2,1-3H3
InChIKeyAVNDYAXNIBZKAI-UHFFFAOYSA-N
MW433.72 g/mol
LogP8.16
Rot. Bonds20

About 1-(7-methyltricos-6-en-8-yl)pyrrolidine-2,3-dione

1-(7-methyltricos-6-en-8-yl)pyrrolidine-2,3-dione (PubChem CID 68720848) has the molecular formula C28H51NO2 and a molecular weight of 433.72 g/mol. Its IUPAC name is 1-(7-methyltricos-6-en-8-yl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(7-methyltricos-6-en-8-yl)pyrrolidine-2,3-dione
PubChem CID68720848
Molecular FormulaC28H51NO2
Molecular Weight433.72 g/mol
Exact Mass433.39
IUPAC Name1-(7-methyltricos-6-en-8-yl)pyrrolidine-2,3-dione
SMILESCCCCCC=C(C)C(CCCCCCCCCCCCCCC)N1CCC(=O)C1=O
InChIInChI=1S/C28H51NO2/c1-4-6-8-10-11-12-13-14-15-16-17-18-20-22-26(25(3)21-19-9-7-5-2)29-24-23-27(30)28(29)31/h21,26H,4-20,22-24H2,1-3H3
InChIKeyAVNDYAXNIBZKAI-UHFFFAOYSA-N
XLogP8.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.72
LogP ≤ 58.16
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-(7-methyltricos-6-en-8-yl)pyrrolidine-2,3-dione?
The IUPAC name of 1-(7-methyltricos-6-en-8-yl)pyrrolidine-2,3-dione (CID 68720848) is 1-(7-methyltricos-6-en-8-yl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-(7-methyltricos-6-en-8-yl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-(7-methyltricos-6-en-8-yl)pyrrolidine-2,3-dione is CCCCCC=C(C)C(CCCCCCCCCCCCCCC)N1CCC(=O)C1=O.
What is the InChIKey of 1-(7-methyltricos-6-en-8-yl)pyrrolidine-2,3-dione?
The InChIKey is AVNDYAXNIBZKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H51NO2/c1-4-6-8-10-11-12-13-14-15-16-17-18-20-22-26(25(3)21-19-9-7-5-2)29-24-23-27(30)28(29)31/h21,26H,4-20,22-24H2,1-3H3.
What are the key properties of 1-(7-methyltricos-6-en-8-yl)pyrrolidine-2,3-dione?
1-(7-methyltricos-6-en-8-yl)pyrrolidine-2,3-dione has a molecular weight of 433.72 g/mol, XLogP of 8.16, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyltricos-6-en-8-yl)pyrrolidine-2,3-dione is sourced from PubChem (CID 68720848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).