1-(4-methylcyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione

C11H11NO2 — CID 145085799

IUPAC1-(4-methylcyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione
SMILESCC1=CCC(N2C(=O)C=CC2=O)C=C1
InChIInChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-4,6-7,9H,5H2,1H3
InChIKeyTWAWYVRCIOEXKW-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.19
Rot. Bonds1

About 1-(4-methylcyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione

1-(4-methylcyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione (PubChem CID 145085799) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(4-methylcyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-methylcyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione
PubChem CID145085799
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-(4-methylcyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione
SMILESCC1=CCC(N2C(=O)C=CC2=O)C=C1
InChIInChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-4,6-7,9H,5H2,1H3
InChIKeyTWAWYVRCIOEXKW-UHFFFAOYSA-N
XLogP1.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-2-enoyl]-2,3-dihydropyridin-6-one
CID 137631456
(2E,4E)-5,9-dimethyl-N,N-di(propan-2-yl)deca-2,4,8-trienamide
CID 44561471
1-ethyl-2,4-dimethyl-2H-pyrrol-5-one
CID 13331587
1,6-Dimethyl-5,6-dihydropyridin-2(1h)-one
CID 12662945
lithium N,N-diethylbenzamide
CID 12872035
5-Ethyl-1-propylpyridin-2-one
CID 13169254
1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrole-2,5-dione
CID 5981048
1-Methyl-2-prop-2-enyl-2,3-dihydropyridin-6-one
CID 10511022
(8aR)-8,8a-dihydro-3H-indolizin-5-one
CID 10898767
(8As)-8,8a-dihydro-3H-indolizin-5-one
CID 10920559
N-(2,7-dimethylocta-2,7-dien-1-yl)male-imide
CID 129740277
2-Ethylcyclopenta[c]pyridin-3-one
CID 132275864

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-methylcyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione (CID 145085799) is 1-(4-methylcyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-methylcyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-methylcyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione is CC1=CCC(N2C(=O)C=CC2=O)C=C1.
What is the InChIKey of 1-(4-methylcyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione?
The InChIKey is TWAWYVRCIOEXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-4,6-7,9H,5H2,1H3.
What are the key properties of 1-(4-methylcyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione?
1-(4-methylcyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione has a molecular weight of 189.21 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 145085799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).