1-[[2-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2,5-dione

C15H17NO3 — CID 141362765

IUPAC1-[[2-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1C1CC1CN1C(=O)CCC1=O
InChIInChI=1S/C15H17NO3/c1-19-13-5-3-2-4-11(13)12-8-10(12)9-16-14(17)6-7-15(16)18/h2-5,10,12H,6-9H2,1H3
InChIKeyVGZLRPJKGCSPNR-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.95
Rot. Bonds4

About 1-[[2-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2,5-dione

1-[[2-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2,5-dione (PubChem CID 141362765) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[[2-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[2-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2,5-dione
PubChem CID141362765
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name1-[[2-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1C1CC1CN1C(=O)CCC1=O
InChIInChI=1S/C15H17NO3/c1-19-13-5-3-2-4-11(13)12-8-10(12)9-16-14(17)6-7-15(16)18/h2-5,10,12H,6-9H2,1H3
InChIKeyVGZLRPJKGCSPNR-UHFFFAOYSA-N
XLogP1.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.95
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

cis-(1R,2R)-2-(2-methoxyphenyl)cyclopropan-1-amine
CID 39235873
1-methoxy-2-[(1S,2R)-2-pentylcyclopropyl]benzene
CID 101342444
N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62704571
1-methoxy-2-(2-methylcyclopropyl)benzene
CID 12651013
2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62714428
2-[9-(2-methoxyphenyl)-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid
CID 1149992
(3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-amine
CID 129407373
2-[2-(2-methoxyphenyl)cyclohexyl]acetic acid
CID 66651942
1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione
CID 16781666
ethyl 4-(2-methoxyphenyl)-1-methylpyrrolidine-3-carboxylate
CID 134162395
2-[4-(2-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 82303598
1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene
CID 139322901

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[2-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2,5-dione (CID 141362765) is 1-[[2-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[2-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[2-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2,5-dione is COc1ccccc1C1CC1CN1C(=O)CCC1=O.
What is the InChIKey of 1-[[2-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is VGZLRPJKGCSPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-19-13-5-3-2-4-11(13)12-8-10(12)9-16-14(17)6-7-15(16)18/h2-5,10,12H,6-9H2,1H3.
What are the key properties of 1-[[2-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2,5-dione?
1-[[2-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 259.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 141362765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).