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

C15H12N2O4 — CID 154480031

IUPAC1-[1-(2,5-dioxopyrrol-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]pyrrole-2,5-dione
SMILESCC1=CCC(N2C(=O)C=CC2=O)(N2C(=O)C=CC2=O)C=C1
InChIInChI=1S/C15H12N2O4/c1-10-6-8-15(9-7-10,16-11(18)2-3-12(16)19)17-13(20)4-5-14(17)21/h2-8H,9H2,1H3
InChIKeyBUMQNTOTOBVPHC-UHFFFAOYSA-N
MW284.27 g/mol
LogP0.44
Rot. Bonds2

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

1-[1-(2,5-dioxopyrrol-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]pyrrole-2,5-dione (PubChem CID 154480031) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 1-[1-(2,5-dioxopyrrol-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[1-(2,5-dioxopyrrol-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]pyrrole-2,5-dione
PubChem CID154480031
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name1-[1-(2,5-dioxopyrrol-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]pyrrole-2,5-dione
SMILESCC1=CCC(N2C(=O)C=CC2=O)(N2C(=O)C=CC2=O)C=C1
InChIInChI=1S/C15H12N2O4/c1-10-6-8-15(9-7-10,16-11(18)2-3-12(16)19)17-13(20)4-5-14(17)21/h2-8H,9H2,1H3
InChIKeyBUMQNTOTOBVPHC-UHFFFAOYSA-N
XLogP0.44
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(1-hydroxy-4-methylcyclohexa-2,4-dien-1-yl)methanone
CID 175474190
2-methyl-5,5-bis(methylsulfanyl)cyclohexa-1,3-diene
CID 18710896
8-methylspiro[4.5]deca-7,9-diene
CID 123168387
5,5-diisocyanato-2-methylcyclohexa-1,3-diene
CID 87530609
strontium bis(1,4-dimethylcyclohexa-2,4-diene-1-sulfonate)
CID 139842170
2,5-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 134426503
4-methyl-1-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 141009789
(1,4-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium
CID 141041567
2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)phenol
CID 140996637
(4E,5R)-4-(1-methoxyethylidene)-2,8-dimethyl-2-azaspiro[4.5]deca-6,8-dien-3-one
CID 177469590
4-methyl-1-piperazin-1-ylcyclohexa-2,4-diene-1-carboxylic acid
CID 70627695
bis[2-hydroxy-3-(1-hydroxy-4-methylcyclohexa-2,4-diene-1-carbonyl)phenyl]methanone
CID 175474206

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dioxopyrrol-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[1-(2,5-dioxopyrrol-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]pyrrole-2,5-dione (CID 154480031) is 1-[1-(2,5-dioxopyrrol-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[1-(2,5-dioxopyrrol-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[1-(2,5-dioxopyrrol-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]pyrrole-2,5-dione is CC1=CCC(N2C(=O)C=CC2=O)(N2C(=O)C=CC2=O)C=C1.
What is the InChIKey of 1-[1-(2,5-dioxopyrrol-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]pyrrole-2,5-dione?
The InChIKey is BUMQNTOTOBVPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-10-6-8-15(9-7-10,16-11(18)2-3-12(16)19)17-13(20)4-5-14(17)21/h2-8H,9H2,1H3.
What are the key properties of 1-[1-(2,5-dioxopyrrol-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]pyrrole-2,5-dione?
1-[1-(2,5-dioxopyrrol-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]pyrrole-2,5-dione has a molecular weight of 284.27 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dioxopyrrol-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]pyrrole-2,5-dione is sourced from PubChem (CID 154480031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).