1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-1-yl]-3-methylpyrrole-2,5-dione

C19H12N2O4 — CID 69214872

IUPAC1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-1-yl]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2ccc(N3C(=O)C=CC3=O)c3ccccc23)C1=O
InChIInChI=1S/C19H12N2O4/c1-11-10-18(24)21(19(11)25)15-7-6-14(12-4-2-3-5-13(12)15)20-16(22)8-9-17(20)23/h2-10H,1H3
InChIKeyQPDHQMHAUKVUDQ-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.09
Rot. Bonds2

About 1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-1-yl]-3-methylpyrrole-2,5-dione

1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-1-yl]-3-methylpyrrole-2,5-dione (PubChem CID 69214872) has the molecular formula C19H12N2O4 and a molecular weight of 332.32 g/mol. Its IUPAC name is 1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-1-yl]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-1-yl]-3-methylpyrrole-2,5-dione
PubChem CID69214872
Molecular FormulaC19H12N2O4
Molecular Weight332.32 g/mol
Exact Mass332.08
IUPAC Name1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-1-yl]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2ccc(N3C(=O)C=CC3=O)c3ccccc23)C1=O
InChIInChI=1S/C19H12N2O4/c1-11-10-18(24)21(19(11)25)15-7-6-14(12-4-2-3-5-13(12)15)20-16(22)8-9-17(20)23/h2-10H,1H3
InChIKeyQPDHQMHAUKVUDQ-UHFFFAOYSA-N
XLogP2.09
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.09
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

1-[5-(2,5-dioxopyrrol-1-yl)-2,4-dimethylphenyl]-3-methylpyrrole-2,5-dione
CID 67326354
2-(3-methyl-2,5-dioxopyrrol-1-yl)benzonitrile
CID 43236196
3-methyl-1-(2-methylnaphthalen-1-yl)pyrrole-2,5-dione
CID 166071088
3-methyl-1-(2-propylphenyl)pyrrole-2,5-dione
CID 60975787
3-methyl-1-(4-methyl-3-pyridinyl)pyrrole-2,5-dione
CID 63327823
1-(5-hydroxynaphthalen-1-yl)pyrrole-2,5-dione
CID 86153417
ethane;1-(2-methylphenyl)pyrrole-2,5-dione
CID 67631676
1-(2-bromo-3-chlorophenyl)-3-methylpyrrole-2,5-dione
CID 103480245
1-(4-bromo-2-fluorophenyl)-3-methylpyrrole-2,5-dione
CID 43236226
1-(2-bromo-5-methylphenyl)-3-methylpyrrole-2,5-dione
CID 82756585
3-methyl-1-(2-methylquinolin-8-yl)pyrrole-2,5-dione
CID 62952760
3-methyl-1-(2-methyl-4-nitrophenyl)pyrrole-2,5-dione
CID 54940825

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-1-yl]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-1-yl]-3-methylpyrrole-2,5-dione (CID 69214872) is 1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-1-yl]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-1-yl]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-1-yl]-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(c2ccc(N3C(=O)C=CC3=O)c3ccccc23)C1=O.
What is the InChIKey of 1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-1-yl]-3-methylpyrrole-2,5-dione?
The InChIKey is QPDHQMHAUKVUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O4/c1-11-10-18(24)21(19(11)25)15-7-6-14(12-4-2-3-5-13(12)15)20-16(22)8-9-17(20)23/h2-10H,1H3.
What are the key properties of 1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-1-yl]-3-methylpyrrole-2,5-dione?
1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-1-yl]-3-methylpyrrole-2,5-dione has a molecular weight of 332.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-1-yl]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 69214872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).