3-amino-1-(3-hydroxynaphthalen-2-yl)propan-1-one

C13H13NO2 — CID 117306698

IUPAC3-amino-1-(3-hydroxynaphthalen-2-yl)propan-1-one
SMILESNCCC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C13H13NO2/c14-6-5-12(15)11-7-9-3-1-2-4-10(9)8-13(11)16/h1-4,7-8,16H,5-6,14H2
InChIKeyNWYNQAXJKBFJCK-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.08
Rot. Bonds3

About 3-amino-1-(3-hydroxynaphthalen-2-yl)propan-1-one

3-amino-1-(3-hydroxynaphthalen-2-yl)propan-1-one (PubChem CID 117306698) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-amino-1-(3-hydroxynaphthalen-2-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-hydroxynaphthalen-2-yl)propan-1-one
PubChem CID117306698
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-amino-1-(3-hydroxynaphthalen-2-yl)propan-1-one
SMILESNCCC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C13H13NO2/c14-6-5-12(15)11-7-9-3-1-2-4-10(9)8-13(11)16/h1-4,7-8,16H,5-6,14H2
InChIKeyNWYNQAXJKBFJCK-UHFFFAOYSA-N
XLogP2.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone
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4-chloroaniline;3-hydroxynaphthalene-2-carboxylic acid
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3-hydroxy-N-methyl-N-propylnaphthalene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-hydroxynaphthalen-2-yl)propan-1-one?
The IUPAC name of 3-amino-1-(3-hydroxynaphthalen-2-yl)propan-1-one (CID 117306698) is 3-amino-1-(3-hydroxynaphthalen-2-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-hydroxynaphthalen-2-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-hydroxynaphthalen-2-yl)propan-1-one is NCCC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of 3-amino-1-(3-hydroxynaphthalen-2-yl)propan-1-one?
The InChIKey is NWYNQAXJKBFJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c14-6-5-12(15)11-7-9-3-1-2-4-10(9)8-13(11)16/h1-4,7-8,16H,5-6,14H2.
What are the key properties of 3-amino-1-(3-hydroxynaphthalen-2-yl)propan-1-one?
3-amino-1-(3-hydroxynaphthalen-2-yl)propan-1-one has a molecular weight of 215.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-hydroxynaphthalen-2-yl)propan-1-one is sourced from PubChem (CID 117306698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).