naphthalene-1-carbonitrile

C11H5N — CID 101170224

IUPACnaphthalene-1-carbonitrile
SMILESN#Cc1cccc2c1=C=CC=C=2
InChIInChI=1S/C11H5N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-3,5-6H
InChIKeyMDXDTNAHHHOPJK-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.44
Rot. Bonds

About naphthalene-1-carbonitrile

naphthalene-1-carbonitrile (PubChem CID 101170224) has the molecular formula C11H5N and a molecular weight of 151.17 g/mol. Its IUPAC name is naphthalene-1-carbonitrile.

Molecular Properties

Compound Namenaphthalene-1-carbonitrile
PubChem CID101170224
Molecular FormulaC11H5N
Molecular Weight151.17 g/mol
Exact Mass151.04
IUPAC Namenaphthalene-1-carbonitrile
SMILESN#Cc1cccc2c1=C=CC=C=2
InChIInChI=1S/C11H5N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-3,5-6H
InChIKeyMDXDTNAHHHOPJK-UHFFFAOYSA-N
XLogP0.44
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

azane;benzene-1,2-dicarbonitrile
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benzene-1,2-dicarbonitrile;tetrahydrofluoride
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benzene-1,2-dicarbonitrile;dihydrochloride
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benzene-1,2-dicarbonitrile;palladium(2+);dichloride
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2-aminobenzonitrile;methane
CID 175308873
3-[2-(2,3-dicyanophenyl)ethynyl]benzene-1,2-dicarbonitrile
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2-aminobenzonitrile;hydroiodide
CID 68879264
2-(2-cyanophenoxy)benzonitrile
CID 13435570
2-(2-amino-3-chlorophenoxy)benzonitrile
CID 104834949
3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile
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3-amino-1H-indazole-4-carbonitrile
CID 54016394

Frequently Asked Questions

What is the IUPAC name of naphthalene-1-carbonitrile?
The IUPAC name of naphthalene-1-carbonitrile (CID 101170224) is naphthalene-1-carbonitrile.
What is the SMILES notation for naphthalene-1-carbonitrile?
The canonical SMILES for naphthalene-1-carbonitrile is N#Cc1cccc2c1=C=CC=C=2.
What is the InChIKey of naphthalene-1-carbonitrile?
The InChIKey is MDXDTNAHHHOPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-3,5-6H.
What are the key properties of naphthalene-1-carbonitrile?
naphthalene-1-carbonitrile has a molecular weight of 151.17 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1-carbonitrile is sourced from PubChem (CID 101170224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).