1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione

C14H15NO2 — CID 113306025

IUPAC1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
SMILESCC1CCC2(CC(=O)NC2=O)c2ccccc21
InChIInChI=1S/C14H15NO2/c1-9-6-7-14(8-12(16)15-13(14)17)11-5-3-2-4-10(9)11/h2-5,9H,6-8H2,1H3,(H,15,16,17)
InChIKeyDCCVAJVYOBZBOT-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.87
Rot. Bonds

About 1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione

1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione (PubChem CID 113306025) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione.

Molecular Properties

Compound Name1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
PubChem CID113306025
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
SMILESCC1CCC2(CC(=O)NC2=O)c2ccccc21
InChIInChI=1S/C14H15NO2/c1-9-6-7-14(8-12(16)15-13(14)17)11-5-3-2-4-10(9)11/h2-5,9H,6-8H2,1H3,(H,15,16,17)
InChIKeyDCCVAJVYOBZBOT-UHFFFAOYSA-N
XLogP1.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,3R)-1-phenylspiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 15870810
spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 4230334
(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179
(1S,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 67568917
2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 115420224
spiro[2,3-dihydroisoquinoline-4,3'-pyrrolidine]-1,2',5'-trione
CID 10263233
2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid
CID 115420429
(3S)-7-nitrospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 164939916
1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 116769560
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
1-methyl-1'-methylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
CID 134073260
3-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2,5-dione
CID 113306146

Frequently Asked Questions

What is the IUPAC name of 1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
The IUPAC name of 1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione (CID 113306025) is 1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione.
What is the SMILES notation for 1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
The canonical SMILES for 1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione is CC1CCC2(CC(=O)NC2=O)c2ccccc21.
What is the InChIKey of 1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
The InChIKey is DCCVAJVYOBZBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-6-7-14(8-12(16)15-13(14)17)11-5-3-2-4-10(9)11/h2-5,9H,6-8H2,1H3,(H,15,16,17).
What are the key properties of 1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione has a molecular weight of 229.28 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione is sourced from PubChem (CID 113306025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).