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

C19H19NO3 — CID 906415

IUPAC4-methoxy-2-(2-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one
SMILESCOc1ccccc1-n1c(C)c2c(OC)cccc(=O)c2c1C
InChIInChI=1S/C19H19NO3/c1-12-18-15(21)9-7-11-17(23-4)19(18)13(2)20(12)14-8-5-6-10-16(14)22-3/h5-11H,1-4H3
InChIKeyLAHHACSRDUMXKV-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.62
Rot. Bonds3

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

4-methoxy-2-(2-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one (PubChem CID 906415) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-methoxy-2-(2-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one.

Molecular Properties

Compound Name4-methoxy-2-(2-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one
PubChem CID906415
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name4-methoxy-2-(2-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one
SMILESCOc1ccccc1-n1c(C)c2c(OC)cccc(=O)c2c1C
InChIInChI=1S/C19H19NO3/c1-12-18-15(21)9-7-11-17(23-4)19(18)13(2)20(12)14-8-5-6-10-16(14)22-3/h5-11H,1-4H3
InChIKeyLAHHACSRDUMXKV-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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Related Compounds

1-[1-(4-Methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidyl)ethan-1-o ne
CID 704877
1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 1121197
2-chloro-1-(1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one
CID 1537017
1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 974663
1-(2,5-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 974665
Ethanone, 1-(4-acetyl-1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl)-
CID 183411
1-[4-Acetyl-1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 767208
1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
CID 934175
2-(3,5-dimethylphenyl)-8-methoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one
CID 803954
2-chloro-1-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one
CID 2378291
1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 974668
Zinc00297698
CID 794665

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one?
The IUPAC name of 4-methoxy-2-(2-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one (CID 906415) is 4-methoxy-2-(2-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one.
What is the SMILES notation for 4-methoxy-2-(2-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one?
The canonical SMILES for 4-methoxy-2-(2-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one is COc1ccccc1-n1c(C)c2c(OC)cccc(=O)c2c1C.
What is the InChIKey of 4-methoxy-2-(2-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one?
The InChIKey is LAHHACSRDUMXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-12-18-15(21)9-7-11-17(23-4)19(18)13(2)20(12)14-8-5-6-10-16(14)22-3/h5-11H,1-4H3.
What are the key properties of 4-methoxy-2-(2-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one?
4-methoxy-2-(2-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-(2-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-8-one is sourced from PubChem (CID 906415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).