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

C19H19NO3 — CID 906417

IUPAC4-methoxy-2-(4-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one
SMILESCOc1ccc(-n2c(C)c3c(OC)cccc(=O)c3c2C)cc1
InChIInChI=1S/C19H19NO3/c1-12-18-16(21)6-5-7-17(23-4)19(18)13(2)20(12)14-8-10-15(22-3)11-9-14/h5-11H,1-4H3
InChIKeyGZXJKANMBOUTNJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.62
Rot. Bonds3

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

4-methoxy-2-(4-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one (PubChem CID 906417) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-methoxy-2-(4-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one.

Molecular Properties

Compound Name4-methoxy-2-(4-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one
PubChem CID906417
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name4-methoxy-2-(4-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one
SMILESCOc1ccc(-n2c(C)c3c(OC)cccc(=O)c3c2C)cc1
InChIInChI=1S/C19H19NO3/c1-12-18-16(21)6-5-7-17(23-4)19(18)13(2)20(12)14-8-10-15(22-3)11-9-14/h5-11H,1-4H3
InChIKeyGZXJKANMBOUTNJ-UHFFFAOYSA-N
XLogP3.62
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one?
The IUPAC name of 4-methoxy-2-(4-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one (CID 906417) is 4-methoxy-2-(4-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one.
What is the SMILES notation for 4-methoxy-2-(4-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one?
The canonical SMILES for 4-methoxy-2-(4-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one is COc1ccc(-n2c(C)c3c(OC)cccc(=O)c3c2C)cc1.
What is the InChIKey of 4-methoxy-2-(4-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one?
The InChIKey is GZXJKANMBOUTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-12-18-16(21)6-5-7-17(23-4)19(18)13(2)20(12)14-8-10-15(22-3)11-9-14/h5-11H,1-4H3.
What are the key properties of 4-methoxy-2-(4-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one?
4-methoxy-2-(4-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one has a molecular weight of 309.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one is sourced from PubChem (CID 906417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).