1-[3-(methylamino)naphthalen-2-yl]ethanone

C13H13NO — CID 58772657

IUPAC1-[3-(methylamino)naphthalen-2-yl]ethanone
SMILESCNc1cc2ccccc2cc1C(C)=O
InChIInChI=1S/C13H13NO/c1-9(15)12-7-10-5-3-4-6-11(10)8-13(12)14-2/h3-8,14H,1-2H3
InChIKeyNLYZBLGIJVPEDB-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.08
Rot. Bonds2

About 1-[3-(methylamino)naphthalen-2-yl]ethanone

1-[3-(methylamino)naphthalen-2-yl]ethanone (PubChem CID 58772657) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-[3-(methylamino)naphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(methylamino)naphthalen-2-yl]ethanone
PubChem CID58772657
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name1-[3-(methylamino)naphthalen-2-yl]ethanone
SMILESCNc1cc2ccccc2cc1C(C)=O
InChIInChI=1S/C13H13NO/c1-9(15)12-7-10-5-3-4-6-11(10)8-13(12)14-2/h3-8,14H,1-2H3
InChIKeyNLYZBLGIJVPEDB-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-acetylnaphthalen-2-yl)ethanone
CID 13300196
1-(3-chloronaphthalen-2-yl)ethanone
CID 131563737
3-(methylcarbamoylamino)naphthalene-2-carboxylic acid
CID 61189207
3-hydrazinylnaphthalene-2-carboxylic acid
CID 4738853
3-[(2-acetamidoacetyl)amino]naphthalene-2-carboxylic acid
CID 24702381
1-[2-chloro-3-(methylamino)phenyl]ethanone
CID 142085383
3-(tert-butylsulfonylamino)naphthalene-2-carboxylic acid
CID 63688592
3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid
CID 28788057
N-[2-(methylamino)phenyl]acetamide
CID 22950987
3-chloro-N-methylnaphthalene-2-carboxamide
CID 133063253
3-iodo-N-methylnaphthalene-2-carboxamide
CID 133056320
3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid
CID 16773490

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)naphthalen-2-yl]ethanone?
The IUPAC name of 1-[3-(methylamino)naphthalen-2-yl]ethanone (CID 58772657) is 1-[3-(methylamino)naphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[3-(methylamino)naphthalen-2-yl]ethanone?
The canonical SMILES for 1-[3-(methylamino)naphthalen-2-yl]ethanone is CNc1cc2ccccc2cc1C(C)=O.
What is the InChIKey of 1-[3-(methylamino)naphthalen-2-yl]ethanone?
The InChIKey is NLYZBLGIJVPEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-9(15)12-7-10-5-3-4-6-11(10)8-13(12)14-2/h3-8,14H,1-2H3.
What are the key properties of 1-[3-(methylamino)naphthalen-2-yl]ethanone?
1-[3-(methylamino)naphthalen-2-yl]ethanone has a molecular weight of 199.25 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)naphthalen-2-yl]ethanone is sourced from PubChem (CID 58772657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).