3-[(4Z,5Z)-5-ethylidene-3,3,6,6-tetramethyl-4-prop-2-enylidenenonyl]-3-methylpyrrolidine-2,5-dione

C23H37NO2 — CID 145475215

IUPAC3-[(4Z,5Z)-5-ethylidene-3,3,6,6-tetramethyl-4-prop-2-enylidenenonyl]-3-methylpyrrolidine-2,5-dione
SMILESC=C/C=C(C(=C/C)\C(C)(C)CCC)/C(C)(C)CCC1(C)CC(=O)NC1=O
InChIInChI=1S/C23H37NO2/c1-9-12-18(17(11-3)21(4,5)13-10-2)22(6,7)14-15-23(8)16-19(25)24-20(23)26/h9,11-12H,1,10,13-16H2,2-8H3,(H,24,25,26)/b17-11+,18-12+
InChIKeyBATCJNREVQZJQW-JYFOCSDGSA-N
MW359.55 g/mol
LogP5.73
Rot. Bonds9

About 3-[(4Z,5Z)-5-ethylidene-3,3,6,6-tetramethyl-4-prop-2-enylidenenonyl]-3-methylpyrrolidine-2,5-dione

3-[(4Z,5Z)-5-ethylidene-3,3,6,6-tetramethyl-4-prop-2-enylidenenonyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 145475215) has the molecular formula C23H37NO2 and a molecular weight of 359.55 g/mol. Its IUPAC name is 3-[(4Z,5Z)-5-ethylidene-3,3,6,6-tetramethyl-4-prop-2-enylidenenonyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4Z,5Z)-5-ethylidene-3,3,6,6-tetramethyl-4-prop-2-enylidenenonyl]-3-methylpyrrolidine-2,5-dione
PubChem CID145475215
Molecular FormulaC23H37NO2
Molecular Weight359.55 g/mol
Exact Mass359.28
IUPAC Name3-[(4Z,5Z)-5-ethylidene-3,3,6,6-tetramethyl-4-prop-2-enylidenenonyl]-3-methylpyrrolidine-2,5-dione
SMILESC=C/C=C(C(=C/C)\C(C)(C)CCC)/C(C)(C)CCC1(C)CC(=O)NC1=O
InChIInChI=1S/C23H37NO2/c1-9-12-18(17(11-3)21(4,5)13-10-2)22(6,7)14-15-23(8)16-19(25)24-20(23)26/h9,11-12H,1,10,13-16H2,2-8H3,(H,24,25,26)/b17-11+,18-12+
InChIKeyBATCJNREVQZJQW-JYFOCSDGSA-N
XLogP5.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.55
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4Z,5Z)-5-ethylidene-3,3,6,6-tetramethyl-4-prop-2-enylidenenonyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(4Z,5Z)-5-ethylidene-3,3,6,6-tetramethyl-4-prop-2-enylidenenonyl]-3-methylpyrrolidine-2,5-dione (CID 145475215) is 3-[(4Z,5Z)-5-ethylidene-3,3,6,6-tetramethyl-4-prop-2-enylidenenonyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4Z,5Z)-5-ethylidene-3,3,6,6-tetramethyl-4-prop-2-enylidenenonyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4Z,5Z)-5-ethylidene-3,3,6,6-tetramethyl-4-prop-2-enylidenenonyl]-3-methylpyrrolidine-2,5-dione is C=C/C=C(C(=C/C)\C(C)(C)CCC)/C(C)(C)CCC1(C)CC(=O)NC1=O.
What is the InChIKey of 3-[(4Z,5Z)-5-ethylidene-3,3,6,6-tetramethyl-4-prop-2-enylidenenonyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is BATCJNREVQZJQW-JYFOCSDGSA-N. The full InChI is InChI=1S/C23H37NO2/c1-9-12-18(17(11-3)21(4,5)13-10-2)22(6,7)14-15-23(8)16-19(25)24-20(23)26/h9,11-12H,1,10,13-16H2,2-8H3,(H,24,25,26)/b17-11+,18-12+.
What are the key properties of 3-[(4Z,5Z)-5-ethylidene-3,3,6,6-tetramethyl-4-prop-2-enylidenenonyl]-3-methylpyrrolidine-2,5-dione?
3-[(4Z,5Z)-5-ethylidene-3,3,6,6-tetramethyl-4-prop-2-enylidenenonyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 359.55 g/mol, XLogP of 5.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4Z,5Z)-5-ethylidene-3,3,6,6-tetramethyl-4-prop-2-enylidenenonyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 145475215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).