1-ethyl-3-[(Z)-2,4,6-trimethylnon-3-en-2-yl]pyrrolidine-2,5-dione

C18H31NO2 — CID 5355515

IUPAC1-ethyl-3-[(Z)-2,4,6-trimethylnon-3-en-2-yl]pyrrolidine-2,5-dione
SMILESCCCC(C)C/C(C)=C\C(C)(C)C1CC(=O)N(CC)C1=O
InChIInChI=1S/C18H31NO2/c1-7-9-13(3)10-14(4)12-18(5,6)15-11-16(20)19(8-2)17(15)21/h12-13,15H,7-11H2,1-6H3/b14-12-
InChIKeyXKMROZHMCQRPFJ-OWBHPGMISA-N
MW293.45 g/mol
LogP4.18
Rot. Bonds7

About 1-ethyl-3-[(Z)-2,4,6-trimethylnon-3-en-2-yl]pyrrolidine-2,5-dione

1-ethyl-3-[(Z)-2,4,6-trimethylnon-3-en-2-yl]pyrrolidine-2,5-dione (PubChem CID 5355515) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-ethyl-3-[(Z)-2,4,6-trimethylnon-3-en-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-[(Z)-2,4,6-trimethylnon-3-en-2-yl]pyrrolidine-2,5-dione
PubChem CID5355515
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-ethyl-3-[(Z)-2,4,6-trimethylnon-3-en-2-yl]pyrrolidine-2,5-dione
SMILESCCCC(C)C/C(C)=C\C(C)(C)C1CC(=O)N(CC)C1=O
InChIInChI=1S/C18H31NO2/c1-7-9-13(3)10-14(4)12-18(5,6)15-11-16(20)19(8-2)17(15)21/h12-13,15H,7-11H2,1-6H3/b14-12-
InChIKeyXKMROZHMCQRPFJ-OWBHPGMISA-N
XLogP4.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(Z)-2,4,6-trimethylnon-3-en-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-[(Z)-2,4,6-trimethylnon-3-en-2-yl]pyrrolidine-2,5-dione (CID 5355515) is 1-ethyl-3-[(Z)-2,4,6-trimethylnon-3-en-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-[(Z)-2,4,6-trimethylnon-3-en-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-[(Z)-2,4,6-trimethylnon-3-en-2-yl]pyrrolidine-2,5-dione is CCCC(C)C/C(C)=C\C(C)(C)C1CC(=O)N(CC)C1=O.
What is the InChIKey of 1-ethyl-3-[(Z)-2,4,6-trimethylnon-3-en-2-yl]pyrrolidine-2,5-dione?
The InChIKey is XKMROZHMCQRPFJ-OWBHPGMISA-N. The full InChI is InChI=1S/C18H31NO2/c1-7-9-13(3)10-14(4)12-18(5,6)15-11-16(20)19(8-2)17(15)21/h12-13,15H,7-11H2,1-6H3/b14-12-.
What are the key properties of 1-ethyl-3-[(Z)-2,4,6-trimethylnon-3-en-2-yl]pyrrolidine-2,5-dione?
1-ethyl-3-[(Z)-2,4,6-trimethylnon-3-en-2-yl]pyrrolidine-2,5-dione has a molecular weight of 293.45 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(Z)-2,4,6-trimethylnon-3-en-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 5355515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).