1-[4-(2-methylidene-5-oxopyrrol-1-yl)phenyl]pyrrole-2,5-dione

C15H10N2O3 — CID 90336155

IUPAC1-[4-(2-methylidene-5-oxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
SMILESC=C1C=CC(=O)N1c1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C15H10N2O3/c1-10-2-7-13(18)16(10)11-3-5-12(6-4-11)17-14(19)8-9-15(17)20/h2-9H,1H2
InChIKeyQYGZCKSPQWKPEW-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.53
Rot. Bonds2

About 1-[4-(2-methylidene-5-oxopyrrol-1-yl)phenyl]pyrrole-2,5-dione

1-[4-(2-methylidene-5-oxopyrrol-1-yl)phenyl]pyrrole-2,5-dione (PubChem CID 90336155) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-[4-(2-methylidene-5-oxopyrrol-1-yl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(2-methylidene-5-oxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
PubChem CID90336155
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name1-[4-(2-methylidene-5-oxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
SMILESC=C1C=CC(=O)N1c1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C15H10N2O3/c1-10-2-7-13(18)16(10)11-3-5-12(6-4-11)17-14(19)8-9-15(17)20/h2-9H,1H2
InChIKeyQYGZCKSPQWKPEW-UHFFFAOYSA-N
XLogP1.53
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-silylphenyl)pyrrole-2,5-dione
CID 151993924
3-(2,5-dioxopyrrol-1-yl)-5-(2-methylidene-5-oxopyrrol-1-yl)benzoic acid
CID 89001779
methane;1-phenylpyrrole-2,5-dione
CID 174935875
1-[4-(dihydroxymethyl)phenyl]pyrrole-2,5-dione
CID 149391742
1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]pyrrole-2,5-dione
CID 20502008
1-[4-(methylamino)phenyl]pyrrole-2,5-dione
CID 86170375
[4-(2-methylidene-5-oxopyrrol-1-yl)phenyl] 4-(trifluoromethyl)benzoate
CID 126516822
1-[4-[(2,5-dioxopyrrol-1-yl)-[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione
CID 170336263
1-[4-[[4-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]phenyl]methyl]phenyl]pyrrole-2,5-dione
CID 139363924
1-[4-[2-[4-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]phenyl]ethyl]phenyl]pyrrole-2,5-dione
CID 153418506
1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]phenoxy]phenyl]pyrrole-2,5-dione
CID 19737566
1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione
CID 512832

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylidene-5-oxopyrrol-1-yl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-(2-methylidene-5-oxopyrrol-1-yl)phenyl]pyrrole-2,5-dione (CID 90336155) is 1-[4-(2-methylidene-5-oxopyrrol-1-yl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(2-methylidene-5-oxopyrrol-1-yl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-(2-methylidene-5-oxopyrrol-1-yl)phenyl]pyrrole-2,5-dione is C=C1C=CC(=O)N1c1ccc(N2C(=O)C=CC2=O)cc1.
What is the InChIKey of 1-[4-(2-methylidene-5-oxopyrrol-1-yl)phenyl]pyrrole-2,5-dione?
The InChIKey is QYGZCKSPQWKPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c1-10-2-7-13(18)16(10)11-3-5-12(6-4-11)17-14(19)8-9-15(17)20/h2-9H,1H2.
What are the key properties of 1-[4-(2-methylidene-5-oxopyrrol-1-yl)phenyl]pyrrole-2,5-dione?
1-[4-(2-methylidene-5-oxopyrrol-1-yl)phenyl]pyrrole-2,5-dione has a molecular weight of 266.26 g/mol, XLogP of 1.53, 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-oxopyrrol-1-yl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 90336155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).