1-(5-aminonaphthalen-2-yl)ethanone

C12H11NO — CID 115016880

IUPAC1-(5-aminonaphthalen-2-yl)ethanone
SMILESCC(=O)c1ccc2c(N)cccc2c1
InChIInChI=1S/C12H11NO/c1-8(14)9-5-6-11-10(7-9)3-2-4-12(11)13/h2-7H,13H2,1H3
InChIKeyONWLTPNUHONQBL-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.62
Rot. Bonds1

About 1-(5-aminonaphthalen-2-yl)ethanone

1-(5-aminonaphthalen-2-yl)ethanone (PubChem CID 115016880) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-(5-aminonaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-aminonaphthalen-2-yl)ethanone
PubChem CID115016880
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name1-(5-aminonaphthalen-2-yl)ethanone
SMILESCC(=O)c1ccc2c(N)cccc2c1
InChIInChI=1S/C12H11NO/c1-8(14)9-5-6-11-10(7-9)3-2-4-12(11)13/h2-7H,13H2,1H3
InChIKeyONWLTPNUHONQBL-UHFFFAOYSA-N
XLogP2.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[5-(sulfanylmethyl)naphthalen-2-yl]ethanone
CID 58488627
8-aminonaphthalene-2-carboxylic acid
CID 13440887
8-amino-3-methylnaphthalene-2-carboxamide
CID 21300607
1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone
CID 130032637
5-methylnaphthalene-2-carboxamide
CID 89351493
1-(7-acetylanthracen-2-yl)ethanone
CID 139364083
1-[3-(2-aminophenoxy)phenyl]ethanone
CID 154186967
1-(1-chloroisoquinolin-6-yl)ethanone
CID 119018146
5-amino-N-(1-azabicyclo[3.2.2]nonan-3-yl)naphthalene-2-carboxamide
CID 22243655
5-aminonaphthalene-2-sulfonate
CID 6994087
1-(20-acetyl-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-6-yl)ethanone
CID 156516594
1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone
CID 20641233

Frequently Asked Questions

What is the IUPAC name of 1-(5-aminonaphthalen-2-yl)ethanone?
The IUPAC name of 1-(5-aminonaphthalen-2-yl)ethanone (CID 115016880) is 1-(5-aminonaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(5-aminonaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(5-aminonaphthalen-2-yl)ethanone is CC(=O)c1ccc2c(N)cccc2c1.
What is the InChIKey of 1-(5-aminonaphthalen-2-yl)ethanone?
The InChIKey is ONWLTPNUHONQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-8(14)9-5-6-11-10(7-9)3-2-4-12(11)13/h2-7H,13H2,1H3.
What are the key properties of 1-(5-aminonaphthalen-2-yl)ethanone?
1-(5-aminonaphthalen-2-yl)ethanone has a molecular weight of 185.23 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminonaphthalen-2-yl)ethanone is sourced from PubChem (CID 115016880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).