2-[hydroxy(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one

C16H15NO2 — CID 3240590

IUPAC2-[hydroxy(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1C(O)c1ccccn1
InChIInChI=1S/C16H15NO2/c18-15-12-6-2-1-5-11(12)8-9-13(15)16(19)14-7-3-4-10-17-14/h1-7,10,13,16,19H,8-9H2
InChIKeyKMUFRORPXFHGMY-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.56
Rot. Bonds2

About 2-[hydroxy(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one

2-[hydroxy(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 3240590) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[hydroxy(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-[hydroxy(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID3240590
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-[hydroxy(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1C(O)c1ccccn1
InChIInChI=1S/C16H15NO2/c18-15-12-6-2-1-5-11(12)8-9-13(15)16(19)14-7-3-4-10-17-14/h1-7,10,13,16,19H,8-9H2
InChIKeyKMUFRORPXFHGMY-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-[hydroxy(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one (CID 3240590) is 2-[hydroxy(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-[hydroxy(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-[hydroxy(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccccc2CCC1C(O)c1ccccn1.
What is the InChIKey of 2-[hydroxy(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is KMUFRORPXFHGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-15-12-6-2-1-5-11(12)8-9-13(15)16(19)14-7-3-4-10-17-14/h1-7,10,13,16,19H,8-9H2.
What are the key properties of 2-[hydroxy(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
2-[hydroxy(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 253.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 3240590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).