5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrole-2,3-dione

C19H12N4O2 — CID 91495813

IUPAC5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrole-2,3-dione
SMILESO=C1C=C(C=C2C=CC(C=C3C=CC(C=C4C=CC=N4)=N3)=N2)NC1=O
InChIInChI=1S/C19H12N4O2/c24-18-11-17(23-19(18)25)10-16-6-5-15(22-16)9-14-4-3-13(21-14)8-12-2-1-7-20-12/h1-11H,(H,23,24,25)
InChIKeyNOZJWFFBJWBMCJ-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.88
Rot. Bonds3

About 5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrole-2,3-dione

5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrole-2,3-dione (PubChem CID 91495813) has the molecular formula C19H12N4O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is 5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrole-2,3-dione.

Molecular Properties

Compound Name5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrole-2,3-dione
PubChem CID91495813
Molecular FormulaC19H12N4O2
Molecular Weight328.33 g/mol
Exact Mass328.10
IUPAC Name5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrole-2,3-dione
SMILESO=C1C=C(C=C2C=CC(C=C3C=CC(C=C4C=CC=N4)=N3)=N2)NC1=O
InChIInChI=1S/C19H12N4O2/c24-18-11-17(23-19(18)25)10-16-6-5-15(22-16)9-14-4-3-13(21-14)8-12-2-1-7-20-12/h1-11H,(H,23,24,25)
InChIKeyNOZJWFFBJWBMCJ-UHFFFAOYSA-N
XLogP1.88
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrole-2,3-dione?
The IUPAC name of 5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrole-2,3-dione (CID 91495813) is 5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrole-2,3-dione.
What is the SMILES notation for 5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrole-2,3-dione?
The canonical SMILES for 5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrole-2,3-dione is O=C1C=C(C=C2C=CC(C=C3C=CC(C=C4C=CC=N4)=N3)=N2)NC1=O.
What is the InChIKey of 5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrole-2,3-dione?
The InChIKey is NOZJWFFBJWBMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O2/c24-18-11-17(23-19(18)25)10-16-6-5-15(22-16)9-14-4-3-13(21-14)8-12-2-1-7-20-12/h1-11H,(H,23,24,25).
What are the key properties of 5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrole-2,3-dione?
5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrole-2,3-dione has a molecular weight of 328.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrole-2,3-dione is sourced from PubChem (CID 91495813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).