indeno[1,2-h]isoquinolin-1-one

C16H9NO — CID 86637647

IUPACindeno[1,2-h]isoquinolin-1-one
SMILESO=C1N=CC=c2ccc3c(c21)C=c1ccccc1=3
InChIInChI=1S/C16H9NO/c18-16-15-10(7-8-17-16)5-6-13-12-4-2-1-3-11(12)9-14(13)15/h1-9H
InChIKeyIMMCOBGFCRNGBX-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.12
Rot. Bonds

About indeno[1,2-h]isoquinolin-1-one

indeno[1,2-h]isoquinolin-1-one (PubChem CID 86637647) has the molecular formula C16H9NO and a molecular weight of 231.25 g/mol. Its IUPAC name is indeno[1,2-h]isoquinolin-1-one.

Molecular Properties

Compound Nameindeno[1,2-h]isoquinolin-1-one
PubChem CID86637647
Molecular FormulaC16H9NO
Molecular Weight231.25 g/mol
Exact Mass231.07
IUPAC Nameindeno[1,2-h]isoquinolin-1-one
SMILESO=C1N=CC=c2ccc3c(c21)C=c1ccccc1=3
InChIInChI=1S/C16H9NO/c18-16-15-10(7-8-17-16)5-6-13-12-4-2-1-3-11(12)9-14(13)15/h1-9H
InChIKeyIMMCOBGFCRNGBX-UHFFFAOYSA-N
XLogP1.12
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of indeno[1,2-h]isoquinolin-1-one?
The IUPAC name of indeno[1,2-h]isoquinolin-1-one (CID 86637647) is indeno[1,2-h]isoquinolin-1-one.
What is the SMILES notation for indeno[1,2-h]isoquinolin-1-one?
The canonical SMILES for indeno[1,2-h]isoquinolin-1-one is O=C1N=CC=c2ccc3c(c21)C=c1ccccc1=3.
What is the InChIKey of indeno[1,2-h]isoquinolin-1-one?
The InChIKey is IMMCOBGFCRNGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9NO/c18-16-15-10(7-8-17-16)5-6-13-12-4-2-1-3-11(12)9-14(13)15/h1-9H.
What are the key properties of indeno[1,2-h]isoquinolin-1-one?
indeno[1,2-h]isoquinolin-1-one has a molecular weight of 231.25 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for indeno[1,2-h]isoquinolin-1-one is sourced from PubChem (CID 86637647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).