2-(6-acetylnaphthalen-2-yl)acetonitrile

C14H11NO — CID 13404143

IUPAC2-(6-acetylnaphthalen-2-yl)acetonitrile
SMILESCC(=O)c1ccc2cc(CC#N)ccc2c1
InChIInChI=1S/C14H11NO/c1-10(16)12-4-5-13-8-11(6-7-15)2-3-14(13)9-12/h2-5,8-9H,6H2,1H3
InChIKeyPDYXPTVJHSDIBA-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.11
Rot. Bonds2

About 2-(6-acetylnaphthalen-2-yl)acetonitrile

2-(6-acetylnaphthalen-2-yl)acetonitrile (PubChem CID 13404143) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(6-acetylnaphthalen-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-acetylnaphthalen-2-yl)acetonitrile
PubChem CID13404143
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name2-(6-acetylnaphthalen-2-yl)acetonitrile
SMILESCC(=O)c1ccc2cc(CC#N)ccc2c1
InChIInChI=1S/C14H11NO/c1-10(16)12-4-5-13-8-11(6-7-15)2-3-14(13)9-12/h2-5,8-9H,6H2,1H3
InChIKeyPDYXPTVJHSDIBA-UHFFFAOYSA-N
XLogP3.11
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-ethylnaphthalen-2-yl)ethanone
CID 23046884
2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]acetonitrile
CID 146403454
2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]acetonitrile
CID 153338332
1-(7-acetylanthracen-2-yl)ethanone
CID 139364083
2-(3-acetyl-4-chlorophenyl)acetonitrile
CID 155264385
3-[4-[6-(cyanomethyl)naphthalene-2-carbonyl]piperazin-1-yl]propyl acetate
CID 146403414
2-[4-(4-acetyl-2-nitrophenoxy)phenyl]acetonitrile
CID 9108631
tert-butyl-[3-[[6-(cyanomethyl)naphthalene-2-carbonyl]-methylamino]propyl]carbamic acid
CID 166721648
1-ethyl-4-methoxybenzene;1-(6-ethylnaphthalen-2-yl)ethanone;methane;methoxymethane
CID 158794651
ethyl 2-[6-(cyanomethyl)naphthalen-2-yl]oxyacetate
CID 170886250
1-(6-tert-butylnaphthalen-2-yl)ethanone
CID 59199741
1-(6-ethylsulfanylnaphthalen-2-yl)ethanone
CID 22152811

Frequently Asked Questions

What is the IUPAC name of 2-(6-acetylnaphthalen-2-yl)acetonitrile?
The IUPAC name of 2-(6-acetylnaphthalen-2-yl)acetonitrile (CID 13404143) is 2-(6-acetylnaphthalen-2-yl)acetonitrile.
What is the SMILES notation for 2-(6-acetylnaphthalen-2-yl)acetonitrile?
The canonical SMILES for 2-(6-acetylnaphthalen-2-yl)acetonitrile is CC(=O)c1ccc2cc(CC#N)ccc2c1.
What is the InChIKey of 2-(6-acetylnaphthalen-2-yl)acetonitrile?
The InChIKey is PDYXPTVJHSDIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-10(16)12-4-5-13-8-11(6-7-15)2-3-14(13)9-12/h2-5,8-9H,6H2,1H3.
What are the key properties of 2-(6-acetylnaphthalen-2-yl)acetonitrile?
2-(6-acetylnaphthalen-2-yl)acetonitrile has a molecular weight of 209.25 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-acetylnaphthalen-2-yl)acetonitrile is sourced from PubChem (CID 13404143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).