2-naphthalen-1-yloxyacetonitrile

C12H9NO — CID 4123375

IUPAC2-naphthalen-1-yloxyacetonitrile
SMILESN#CCOc1cccc2ccccc12
InChIInChI=1S/C12H9NO/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,9H2
InChIKeyQWUBGVLFZJFONA-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.74
Rot. Bonds2

About 2-naphthalen-1-yloxyacetonitrile

2-naphthalen-1-yloxyacetonitrile (PubChem CID 4123375) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-naphthalen-1-yloxyacetonitrile.

Molecular Properties

Compound Name2-naphthalen-1-yloxyacetonitrile
PubChem CID4123375
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name2-naphthalen-1-yloxyacetonitrile
SMILESN#CCOc1cccc2ccccc12
InChIInChI=1S/C12H9NO/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,9H2
InChIKeyQWUBGVLFZJFONA-UHFFFAOYSA-N
XLogP2.74
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-naphthalen-1-yloxybut-2-yn-1-ol
CID 123667335
1-(3-bromoprop-2-ynoxy)naphthalene
CID 12678022
2-(cyanomethoxy)benzonitrile
CID 4156437
2-[2-(cyanomethoxy)phenyl]acetonitrile
CID 55267337
2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile
CID 43143618
4-(2-naphthalen-1-yloxyethylsulfanyl)butanenitrile
CID 82531250
benzene;naphthalen-1-yloxymethanol
CID 70447137
2-(2-ethylphenoxy)acetonitrile
CID 22688439
2-(4-methylquinolin-8-yl)oxyacetonitrile
CID 71319986
1-(3-chloropropoxy)naphthalene
CID 12685615
lithium;1-ethoxynaphthalene;hydride
CID 174613942
3,4,5,6-tetranaphthalen-1-yloxybenzene-1,2-dicarbonitrile
CID 22104061

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxyacetonitrile?
The IUPAC name of 2-naphthalen-1-yloxyacetonitrile (CID 4123375) is 2-naphthalen-1-yloxyacetonitrile.
What is the SMILES notation for 2-naphthalen-1-yloxyacetonitrile?
The canonical SMILES for 2-naphthalen-1-yloxyacetonitrile is N#CCOc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yloxyacetonitrile?
The InChIKey is QWUBGVLFZJFONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,9H2.
What are the key properties of 2-naphthalen-1-yloxyacetonitrile?
2-naphthalen-1-yloxyacetonitrile has a molecular weight of 183.21 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxyacetonitrile is sourced from PubChem (CID 4123375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).