1-(9-hydroxyindeno[2,1-b]pyridin-9-yl)-2-methylpropan-1-one

C16H15NO2 — CID 23560130

IUPAC1-(9-hydroxyindeno[2,1-b]pyridin-9-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1(O)c2ccccc2-c2cccnc21
InChIInChI=1S/C16H15NO2/c1-10(2)15(18)16(19)13-8-4-3-6-11(13)12-7-5-9-17-14(12)16/h3-10,19H,1-2H3
InChIKeyAUPCHTDJPKEWLA-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.52
Rot. Bonds2

About 1-(9-hydroxyindeno[2,1-b]pyridin-9-yl)-2-methylpropan-1-one

1-(9-hydroxyindeno[2,1-b]pyridin-9-yl)-2-methylpropan-1-one (PubChem CID 23560130) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(9-hydroxyindeno[2,1-b]pyridin-9-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(9-hydroxyindeno[2,1-b]pyridin-9-yl)-2-methylpropan-1-one
PubChem CID23560130
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name1-(9-hydroxyindeno[2,1-b]pyridin-9-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1(O)c2ccccc2-c2cccnc21
InChIInChI=1S/C16H15NO2/c1-10(2)15(18)16(19)13-8-4-3-6-11(13)12-7-5-9-17-14(12)16/h3-10,19H,1-2H3
InChIKeyAUPCHTDJPKEWLA-UHFFFAOYSA-N
XLogP2.52
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(9-hydroxyindeno[2,1-b]pyridin-9-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(9-hydroxyindeno[2,1-b]pyridin-9-yl)-2-methylpropan-1-one (CID 23560130) is 1-(9-hydroxyindeno[2,1-b]pyridin-9-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(9-hydroxyindeno[2,1-b]pyridin-9-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(9-hydroxyindeno[2,1-b]pyridin-9-yl)-2-methylpropan-1-one is CC(C)C(=O)C1(O)c2ccccc2-c2cccnc21.
What is the InChIKey of 1-(9-hydroxyindeno[2,1-b]pyridin-9-yl)-2-methylpropan-1-one?
The InChIKey is AUPCHTDJPKEWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-10(2)15(18)16(19)13-8-4-3-6-11(13)12-7-5-9-17-14(12)16/h3-10,19H,1-2H3.
What are the key properties of 1-(9-hydroxyindeno[2,1-b]pyridin-9-yl)-2-methylpropan-1-one?
1-(9-hydroxyindeno[2,1-b]pyridin-9-yl)-2-methylpropan-1-one has a molecular weight of 253.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-hydroxyindeno[2,1-b]pyridin-9-yl)-2-methylpropan-1-one is sourced from PubChem (CID 23560130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).