1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole-2,5-dione

C11H11NO2 — CID 66669295

IUPAC1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole-2,5-dione
SMILESCC1C=CC=C(N2C(=O)C=CC2=O)C1
InChIInChI=1S/C11H11NO2/c1-8-3-2-4-9(7-8)12-10(13)5-6-11(12)14/h2-6,8H,7H2,1H3
InChIKeyBBBOYBPQEVZHDP-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.39
Rot. Bonds1

About 1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole-2,5-dione

1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole-2,5-dione (PubChem CID 66669295) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole-2,5-dione
PubChem CID66669295
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole-2,5-dione
SMILESCC1C=CC=C(N2C(=O)C=CC2=O)C1
InChIInChI=1S/C11H11NO2/c1-8-3-2-4-9(7-8)12-10(13)5-6-11(12)14/h2-6,8H,7H2,1H3
InChIKeyBBBOYBPQEVZHDP-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole-2,5-dione (CID 66669295) is 1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole-2,5-dione is CC1C=CC=C(N2C(=O)C=CC2=O)C1.
What is the InChIKey of 1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole-2,5-dione?
The InChIKey is BBBOYBPQEVZHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8-3-2-4-9(7-8)12-10(13)5-6-11(12)14/h2-6,8H,7H2,1H3.
What are the key properties of 1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole-2,5-dione?
1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole-2,5-dione has a molecular weight of 189.21 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 66669295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).