4-ethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one

C20H21NO3 — CID 686810

IUPAC4-ethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one
SMILESCCOc1cccc(=O)c2c(C)n(-c3cccc(OC)c3)c(C)c12
InChIInChI=1S/C20H21NO3/c1-5-24-18-11-7-10-17(22)19-13(2)21(14(3)20(18)19)15-8-6-9-16(12-15)23-4/h6-12H,5H2,1-4H3
InChIKeyOCIHHUAEJBWTFT-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.01
Rot. Bonds4

About 4-ethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one

4-ethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one (PubChem CID 686810) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-ethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one.

Molecular Properties

Compound Name4-ethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one
PubChem CID686810
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name4-ethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one
SMILESCCOc1cccc(=O)c2c(C)n(-c3cccc(OC)c3)c(C)c12
InChIInChI=1S/C20H21NO3/c1-5-24-18-11-7-10-17(22)19-13(2)21(14(3)20(18)19)15-8-6-9-16(12-15)23-4/h6-12H,5H2,1-4H3
InChIKeyOCIHHUAEJBWTFT-UHFFFAOYSA-N
XLogP4.01
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-[4-ethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-ylidene]azanium
CID 3706365
N-hydroxy-3-(4-methoxy-1,3-dimethyl-8-oxocyclohepta[c]pyrrol-2-yl)benzeneamine oxide
CID 163117385
2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-dimethylcyclohepta[c]pyrrol-8-one
CID 906517
4-(4-methoxy-1,3-dimethyl-8-oxocyclohepta[c]pyrrol-2-yl)benzoic acid
CID 908963
4-methoxy-1,2,3-trimethylcyclohepta[c]pyrrol-8-one
CID 804120
ethyl 1-(3-methoxyphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate
CID 59324439
N-(2-ethoxyphenyl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113542
(3R)-3-(2-ethoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860106
6-(4-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
CID 10363683
4-(3-methoxyphenyl)-3-methyl-1H-1,2,4-triazol-5-one
CID 3843100
3-[3-(hydroxymethyl)phenyl]-6-(3-methoxyphenyl)-5,7-dimethylpyrrolo[3,4-d]pyridazin-4-one
CID 166126511
1-(3-methoxyphenyl)pyridin-4-one
CID 86100298

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one?
The IUPAC name of 4-ethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one (CID 686810) is 4-ethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one.
What is the SMILES notation for 4-ethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one?
The canonical SMILES for 4-ethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one is CCOc1cccc(=O)c2c(C)n(-c3cccc(OC)c3)c(C)c12.
What is the InChIKey of 4-ethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one?
The InChIKey is OCIHHUAEJBWTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-5-24-18-11-7-10-17(22)19-13(2)21(14(3)20(18)19)15-8-6-9-16(12-15)23-4/h6-12H,5H2,1-4H3.
What are the key properties of 4-ethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one?
4-ethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one has a molecular weight of 323.39 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one is sourced from PubChem (CID 686810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).