3-methyl-1-(2-methylnaphthalen-1-yl)pyrrole-2,5-dione

C16H13NO2 — CID 166071088

IUPAC3-methyl-1-(2-methylnaphthalen-1-yl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2c(C)ccc3ccccc23)C1=O
InChIInChI=1S/C16H13NO2/c1-10-7-8-12-5-3-4-6-13(12)15(10)17-14(18)9-11(2)16(17)19/h3-9H,1-2H3
InChIKeyRYYANQLLZDEDDO-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.97
Rot. Bonds1

About 3-methyl-1-(2-methylnaphthalen-1-yl)pyrrole-2,5-dione

3-methyl-1-(2-methylnaphthalen-1-yl)pyrrole-2,5-dione (PubChem CID 166071088) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-methyl-1-(2-methylnaphthalen-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(2-methylnaphthalen-1-yl)pyrrole-2,5-dione
PubChem CID166071088
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name3-methyl-1-(2-methylnaphthalen-1-yl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2c(C)ccc3ccccc23)C1=O
InChIInChI=1S/C16H13NO2/c1-10-7-8-12-5-3-4-6-13(12)15(10)17-14(18)9-11(2)16(17)19/h3-9H,1-2H3
InChIKeyRYYANQLLZDEDDO-UHFFFAOYSA-N
XLogP2.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-1-yl]-3-methylpyrrole-2,5-dione
CID 69214872
(1R,2S,6R,7S)-4-(2-methylnaphthalen-1-yl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 68543173
3-methyl-1-(2-methylquinolin-8-yl)pyrrole-2,5-dione
CID 62952760
1,2-dimethylnaphthalene;ethane
CID 90922397
1,2-dimethylnaphthalene;hydrobromide
CID 174429192
1,2-dimethylnaphthalene;ethane;propane
CID 90958253
4-(aminomethyl)-1-(2-methylnaphthalen-1-yl)pyrrolidin-2-one
CID 168659858
1-(2-hydroxynaphthalen-1-yl)pyrrole-2,5-dione
CID 166071078
1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanamine
CID 81431572
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
2-amino-3-(2-methylnaphthalen-1-yl)-4H-imidazo[4,5-b]pyridin-5-one
CID 58345764
1,2-dimethylnaphthalene;1-ethylnaphthalene
CID 158986916

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylnaphthalen-1-yl)pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-(2-methylnaphthalen-1-yl)pyrrole-2,5-dione (CID 166071088) is 3-methyl-1-(2-methylnaphthalen-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-(2-methylnaphthalen-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-(2-methylnaphthalen-1-yl)pyrrole-2,5-dione is CC1=CC(=O)N(c2c(C)ccc3ccccc23)C1=O.
What is the InChIKey of 3-methyl-1-(2-methylnaphthalen-1-yl)pyrrole-2,5-dione?
The InChIKey is RYYANQLLZDEDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-10-7-8-12-5-3-4-6-13(12)15(10)17-14(18)9-11(2)16(17)19/h3-9H,1-2H3.
What are the key properties of 3-methyl-1-(2-methylnaphthalen-1-yl)pyrrole-2,5-dione?
3-methyl-1-(2-methylnaphthalen-1-yl)pyrrole-2,5-dione has a molecular weight of 251.28 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylnaphthalen-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 166071088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).