2-(4-methoxyphenyl)-3H-indeno[2,1-b]pyrrol-4-one

C18H13NO2 — CID 135020716

IUPAC2-(4-methoxyphenyl)-3H-indeno[2,1-b]pyrrol-4-one
SMILESCOc1ccc(-c2cc3c([nH]2)C(=O)c2ccccc2-3)cc1
InChIInChI=1S/C18H13NO2/c1-21-12-8-6-11(7-9-12)16-10-15-13-4-2-3-5-14(13)18(20)17(15)19-16/h2-10,19H,1H3
InChIKeyLCMQTTPQLSMIMF-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.90
Rot. Bonds2

About 2-(4-methoxyphenyl)-3H-indeno[2,1-b]pyrrol-4-one

2-(4-methoxyphenyl)-3H-indeno[2,1-b]pyrrol-4-one (PubChem CID 135020716) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3H-indeno[2,1-b]pyrrol-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3H-indeno[2,1-b]pyrrol-4-one
PubChem CID135020716
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name2-(4-methoxyphenyl)-3H-indeno[2,1-b]pyrrol-4-one
SMILESCOc1ccc(-c2cc3c([nH]2)C(=O)c2ccccc2-3)cc1
InChIInChI=1S/C18H13NO2/c1-21-12-8-6-11(7-9-12)16-10-15-13-4-2-3-5-14(13)18(20)17(15)19-16/h2-10,19H,1H3
InChIKeyLCMQTTPQLSMIMF-UHFFFAOYSA-N
XLogP3.90
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3H-indeno[2,1-b]pyrrol-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3H-indeno[2,1-b]pyrrol-4-one (CID 135020716) is 2-(4-methoxyphenyl)-3H-indeno[2,1-b]pyrrol-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3H-indeno[2,1-b]pyrrol-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3H-indeno[2,1-b]pyrrol-4-one is COc1ccc(-c2cc3c([nH]2)C(=O)c2ccccc2-3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3H-indeno[2,1-b]pyrrol-4-one?
The InChIKey is LCMQTTPQLSMIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c1-21-12-8-6-11(7-9-12)16-10-15-13-4-2-3-5-14(13)18(20)17(15)19-16/h2-10,19H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3H-indeno[2,1-b]pyrrol-4-one?
2-(4-methoxyphenyl)-3H-indeno[2,1-b]pyrrol-4-one has a molecular weight of 275.31 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3H-indeno[2,1-b]pyrrol-4-one is sourced from PubChem (CID 135020716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).