1-[(4-ethenylcyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione

C14H21NO2 — CID 156647080

IUPAC1-[(4-ethenylcyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione
SMILESC=CC1CCC(CN2C(=O)CC(C)C2=O)CC1
InChIInChI=1S/C14H21NO2/c1-3-11-4-6-12(7-5-11)9-15-13(16)8-10(2)14(15)17/h3,10-12H,1,4-9H2,2H3
InChIKeyNBUXPYJBBBAQBB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.37
Rot. Bonds3

About 1-[(4-ethenylcyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione

1-[(4-ethenylcyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 156647080) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(4-ethenylcyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(4-ethenylcyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione
PubChem CID156647080
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[(4-ethenylcyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione
SMILESC=CC1CCC(CN2C(=O)CC(C)C2=O)CC1
InChIInChI=1S/C14H21NO2/c1-3-11-4-6-12(7-5-11)9-15-13(16)8-10(2)14(15)17/h3,10-12H,1,4-9H2,2H3
InChIKeyNBUXPYJBBBAQBB-UHFFFAOYSA-N
XLogP2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.37
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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Related Compounds

2-Butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 95074
2-Ethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 601567
N-Propyl-4-cyclohexene-1,2-dicarboximide
CID 16236
2-(2-Methylpropyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 5003903
4-Ethenyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidin-2-one
CID 168685169
4-Cyclohexene-1,2-dicarboximide, N-ethyl-, cis-
CID 91727263
4-Cyclohexene-1,2-dicarboximide, N-butyl-, cis-
CID 91733922
2-Butyl-4-methyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione
CID 23337631
1-Methyl-3-prop-2-enylpyrrolidine-2,5-dione
CID 23382723
4-Ethyl-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 67269946
1-(2-Cyclohexylethenyl)pyrrolidin-2-one
CID 67565669
cyclohexyl-[(3R)-3-ethenylpyrrolidin-1-yl]methanone
CID 67600688

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethenylcyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(4-ethenylcyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione (CID 156647080) is 1-[(4-ethenylcyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(4-ethenylcyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(4-ethenylcyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione is C=CC1CCC(CN2C(=O)CC(C)C2=O)CC1.
What is the InChIKey of 1-[(4-ethenylcyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is NBUXPYJBBBAQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-11-4-6-12(7-5-11)9-15-13(16)8-10(2)14(15)17/h3,10-12H,1,4-9H2,2H3.
What are the key properties of 1-[(4-ethenylcyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione?
1-[(4-ethenylcyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 235.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethenylcyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 156647080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).