7-methoxy-5H-indeno[2,1-b]indol-6-one

C16H11NO2 — CID 10444743

IUPAC7-methoxy-5H-indeno[2,1-b]indol-6-one
SMILESCOc1cccc2c1C(=O)c1[nH]c3ccccc3c1-2
InChIInChI=1S/C16H11NO2/c1-19-12-8-4-6-10-13-9-5-2-3-7-11(9)17-15(13)16(18)14(10)12/h2-8,17H,1H3
InChIKeyMTHIDZUPODIBRZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.39
Rot. Bonds1

About 7-methoxy-5H-indeno[2,1-b]indol-6-one

7-methoxy-5H-indeno[2,1-b]indol-6-one (PubChem CID 10444743) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 7-methoxy-5H-indeno[2,1-b]indol-6-one.

Molecular Properties

Compound Name7-methoxy-5H-indeno[2,1-b]indol-6-one
PubChem CID10444743
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name7-methoxy-5H-indeno[2,1-b]indol-6-one
SMILESCOc1cccc2c1C(=O)c1[nH]c3ccccc3c1-2
InChIInChI=1S/C16H11NO2/c1-19-12-8-4-6-10-13-9-5-2-3-7-11(9)17-15(13)16(18)14(10)12/h2-8,17H,1H3
InChIKeyMTHIDZUPODIBRZ-UHFFFAOYSA-N
XLogP3.39
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5H-indeno[2,1-b]indol-6-one?
The IUPAC name of 7-methoxy-5H-indeno[2,1-b]indol-6-one (CID 10444743) is 7-methoxy-5H-indeno[2,1-b]indol-6-one.
What is the SMILES notation for 7-methoxy-5H-indeno[2,1-b]indol-6-one?
The canonical SMILES for 7-methoxy-5H-indeno[2,1-b]indol-6-one is COc1cccc2c1C(=O)c1[nH]c3ccccc3c1-2.
What is the InChIKey of 7-methoxy-5H-indeno[2,1-b]indol-6-one?
The InChIKey is MTHIDZUPODIBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c1-19-12-8-4-6-10-13-9-5-2-3-7-11(9)17-15(13)16(18)14(10)12/h2-8,17H,1H3.
What are the key properties of 7-methoxy-5H-indeno[2,1-b]indol-6-one?
7-methoxy-5H-indeno[2,1-b]indol-6-one has a molecular weight of 249.27 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5H-indeno[2,1-b]indol-6-one is sourced from PubChem (CID 10444743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).