3-[4-(2,5-dioxopyrrol-3-yl)-5-methylidenecyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione

C15H10N2O4 — CID 18541956

IUPAC3-[4-(2,5-dioxopyrrol-3-yl)-5-methylidenecyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione
SMILESC=C1CC(C2=CC(=O)NC2=O)=CC=C1C1=CC(=O)NC1=O
InChIInChI=1S/C15H10N2O4/c1-7-4-8(10-5-12(18)16-14(10)20)2-3-9(7)11-6-13(19)17-15(11)21/h2-3,5-6H,1,4H2,(H,16,18,20)(H,17,19,21)
InChIKeyNKXNMQJOGMOGJZ-UHFFFAOYSA-N
MW282.26 g/mol
LogP-0.04
Rot. Bonds2

About 3-[4-(2,5-dioxopyrrol-3-yl)-5-methylidenecyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione

3-[4-(2,5-dioxopyrrol-3-yl)-5-methylidenecyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione (PubChem CID 18541956) has the molecular formula C15H10N2O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-[4-(2,5-dioxopyrrol-3-yl)-5-methylidenecyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[4-(2,5-dioxopyrrol-3-yl)-5-methylidenecyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione
PubChem CID18541956
Molecular FormulaC15H10N2O4
Molecular Weight282.26 g/mol
Exact Mass282.06
IUPAC Name3-[4-(2,5-dioxopyrrol-3-yl)-5-methylidenecyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione
SMILESC=C1CC(C2=CC(=O)NC2=O)=CC=C1C1=CC(=O)NC1=O
InChIInChI=1S/C15H10N2O4/c1-7-4-8(10-5-12(18)16-14(10)20)2-3-9(7)11-6-13(19)17-15(11)21/h2-3,5-6H,1,4H2,(H,16,18,20)(H,17,19,21)
InChIKeyNKXNMQJOGMOGJZ-UHFFFAOYSA-N
XLogP-0.04
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-dioxopyrrol-3-yl)-5-methylidenecyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione?
The IUPAC name of 3-[4-(2,5-dioxopyrrol-3-yl)-5-methylidenecyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione (CID 18541956) is 3-[4-(2,5-dioxopyrrol-3-yl)-5-methylidenecyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[4-(2,5-dioxopyrrol-3-yl)-5-methylidenecyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-[4-(2,5-dioxopyrrol-3-yl)-5-methylidenecyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione is C=C1CC(C2=CC(=O)NC2=O)=CC=C1C1=CC(=O)NC1=O.
What is the InChIKey of 3-[4-(2,5-dioxopyrrol-3-yl)-5-methylidenecyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione?
The InChIKey is NKXNMQJOGMOGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c1-7-4-8(10-5-12(18)16-14(10)20)2-3-9(7)11-6-13(19)17-15(11)21/h2-3,5-6H,1,4H2,(H,16,18,20)(H,17,19,21).
What are the key properties of 3-[4-(2,5-dioxopyrrol-3-yl)-5-methylidenecyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione?
3-[4-(2,5-dioxopyrrol-3-yl)-5-methylidenecyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione has a molecular weight of 282.26 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-dioxopyrrol-3-yl)-5-methylidenecyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione is sourced from PubChem (CID 18541956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).