1-[4-(2-methylidene-5-oxopyrrolidin-1-yl)cyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione

C15H14N2O3 — CID 89284656

IUPAC1-[4-(2-methylidene-5-oxopyrrolidin-1-yl)cyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione
SMILESC=C1CCC(=O)N1C1=CC=C(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C15H14N2O3/c1-10-2-7-13(18)16(10)11-3-5-12(6-4-11)17-14(19)8-9-15(17)20/h3,5,8-9H,1-2,4,6-7H2
InChIKeyBRQQTDVMMSAZLG-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.61
Rot. Bonds2

About 1-[4-(2-methylidene-5-oxopyrrolidin-1-yl)cyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione

1-[4-(2-methylidene-5-oxopyrrolidin-1-yl)cyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione (PubChem CID 89284656) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-[4-(2-methylidene-5-oxopyrrolidin-1-yl)cyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(2-methylidene-5-oxopyrrolidin-1-yl)cyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione
PubChem CID89284656
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name1-[4-(2-methylidene-5-oxopyrrolidin-1-yl)cyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione
SMILESC=C1CCC(=O)N1C1=CC=C(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C15H14N2O3/c1-10-2-7-13(18)16(10)11-3-5-12(6-4-11)17-14(19)8-9-15(17)20/h3,5,8-9H,1-2,4,6-7H2
InChIKeyBRQQTDVMMSAZLG-UHFFFAOYSA-N
XLogP1.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[4-(2-methylidene-5-oxopyrrolidin-1-yl)cyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-(2-methylidene-5-oxopyrrolidin-1-yl)cyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione (CID 89284656) is 1-[4-(2-methylidene-5-oxopyrrolidin-1-yl)cyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(2-methylidene-5-oxopyrrolidin-1-yl)cyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-(2-methylidene-5-oxopyrrolidin-1-yl)cyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione is C=C1CCC(=O)N1C1=CC=C(N2C(=O)C=CC2=O)CC1.
What is the InChIKey of 1-[4-(2-methylidene-5-oxopyrrolidin-1-yl)cyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione?
The InChIKey is BRQQTDVMMSAZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-2-7-13(18)16(10)11-3-5-12(6-4-11)17-14(19)8-9-15(17)20/h3,5,8-9H,1-2,4,6-7H2.
What are the key properties of 1-[4-(2-methylidene-5-oxopyrrolidin-1-yl)cyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione?
1-[4-(2-methylidene-5-oxopyrrolidin-1-yl)cyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione has a molecular weight of 270.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylidene-5-oxopyrrolidin-1-yl)cyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione is sourced from PubChem (CID 89284656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).