1-[[4-(4,4-dimethylpent-1-en-2-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione

C18H29NO2 — CID 90275489

IUPAC1-[[4-(4,4-dimethylpent-1-en-2-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione
SMILESC=C(CC(C)(C)C)C1CCC(CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C18H29NO2/c1-13(11-18(2,3)4)15-7-5-14(6-8-15)12-19-16(20)9-10-17(19)21/h14-15H,1,5-12H2,2-4H3
InChIKeyLYBSXMRZKFTCGG-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.93
Rot. Bonds4

About 1-[[4-(4,4-dimethylpent-1-en-2-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione

1-[[4-(4,4-dimethylpent-1-en-2-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione (PubChem CID 90275489) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[[4-(4,4-dimethylpent-1-en-2-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-(4,4-dimethylpent-1-en-2-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione
PubChem CID90275489
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[[4-(4,4-dimethylpent-1-en-2-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione
SMILESC=C(CC(C)(C)C)C1CCC(CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C18H29NO2/c1-13(11-18(2,3)4)15-7-5-14(6-8-15)12-19-16(20)9-10-17(19)21/h14-15H,1,5-12H2,2-4H3
InChIKeyLYBSXMRZKFTCGG-UHFFFAOYSA-N
XLogP3.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.93
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'}

Analyze 1-[[4-(4,4-dimethylpent-1-en-2-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4,4-dimethylpent-1-en-2-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-(4,4-dimethylpent-1-en-2-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione (CID 90275489) is 1-[[4-(4,4-dimethylpent-1-en-2-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-(4,4-dimethylpent-1-en-2-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-(4,4-dimethylpent-1-en-2-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione is C=C(CC(C)(C)C)C1CCC(CN2C(=O)CCC2=O)CC1.
What is the InChIKey of 1-[[4-(4,4-dimethylpent-1-en-2-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is LYBSXMRZKFTCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13(11-18(2,3)4)15-7-5-14(6-8-15)12-19-16(20)9-10-17(19)21/h14-15H,1,5-12H2,2-4H3.
What are the key properties of 1-[[4-(4,4-dimethylpent-1-en-2-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione?
1-[[4-(4,4-dimethylpent-1-en-2-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 291.44 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4,4-dimethylpent-1-en-2-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 90275489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).