3-(2,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3-bis(prop-2-enyl)pyrrolidine-2,4-dione

C18H23NO2 — CID 67745070

IUPAC3-(2,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3-bis(prop-2-enyl)pyrrolidine-2,4-dione
SMILESC=CCN1CC(=O)C(CC=C)(C2CC=C(C)C=C2C)C1=O
InChIInChI=1S/C18H23NO2/c1-5-9-18(15-8-7-13(3)11-14(15)4)16(20)12-19(10-6-2)17(18)21/h5-7,11,15H,1-2,8-10,12H2,3-4H3
InChIKeyCXPRXZSGGKOIQL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.06
Rot. Bonds5

About 3-(2,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3-bis(prop-2-enyl)pyrrolidine-2,4-dione

3-(2,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3-bis(prop-2-enyl)pyrrolidine-2,4-dione (PubChem CID 67745070) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(2,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3-bis(prop-2-enyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-(2,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3-bis(prop-2-enyl)pyrrolidine-2,4-dione
PubChem CID67745070
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-(2,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3-bis(prop-2-enyl)pyrrolidine-2,4-dione
SMILESC=CCN1CC(=O)C(CC=C)(C2CC=C(C)C=C2C)C1=O
InChIInChI=1S/C18H23NO2/c1-5-9-18(15-8-7-13(3)11-14(15)4)16(20)12-19(10-6-2)17(18)21/h5-7,11,15H,1-2,8-10,12H2,3-4H3
InChIKeyCXPRXZSGGKOIQL-UHFFFAOYSA-N
XLogP3.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3-bis(prop-2-enyl)pyrrolidine-2,4-dione?
The IUPAC name of 3-(2,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3-bis(prop-2-enyl)pyrrolidine-2,4-dione (CID 67745070) is 3-(2,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3-bis(prop-2-enyl)pyrrolidine-2,4-dione.
What is the SMILES notation for 3-(2,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3-bis(prop-2-enyl)pyrrolidine-2,4-dione?
The canonical SMILES for 3-(2,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3-bis(prop-2-enyl)pyrrolidine-2,4-dione is C=CCN1CC(=O)C(CC=C)(C2CC=C(C)C=C2C)C1=O.
What is the InChIKey of 3-(2,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3-bis(prop-2-enyl)pyrrolidine-2,4-dione?
The InChIKey is CXPRXZSGGKOIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-5-9-18(15-8-7-13(3)11-14(15)4)16(20)12-19(10-6-2)17(18)21/h5-7,11,15H,1-2,8-10,12H2,3-4H3.
What are the key properties of 3-(2,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3-bis(prop-2-enyl)pyrrolidine-2,4-dione?
3-(2,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3-bis(prop-2-enyl)pyrrolidine-2,4-dione has a molecular weight of 285.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3-bis(prop-2-enyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 67745070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).