4-amino-7-methoxynaphthalene-1-carbonitrile

C12H10N2O — CID 131535319

IUPAC4-amino-7-methoxynaphthalene-1-carbonitrile
SMILESCOc1ccc2c(N)ccc(C#N)c2c1
InChIInChI=1S/C12H10N2O/c1-15-9-3-4-10-11(6-9)8(7-13)2-5-12(10)14/h2-6H,14H2,1H3
InChIKeyOTELRHKZZNJSIV-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.30
Rot. Bonds1

About 4-amino-7-methoxynaphthalene-1-carbonitrile

4-amino-7-methoxynaphthalene-1-carbonitrile (PubChem CID 131535319) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-amino-7-methoxynaphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-amino-7-methoxynaphthalene-1-carbonitrile
PubChem CID131535319
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name4-amino-7-methoxynaphthalene-1-carbonitrile
SMILESCOc1ccc2c(N)ccc(C#N)c2c1
InChIInChI=1S/C12H10N2O/c1-15-9-3-4-10-11(6-9)8(7-13)2-5-12(10)14/h2-6H,14H2,1H3
InChIKeyOTELRHKZZNJSIV-UHFFFAOYSA-N
XLogP2.30
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-chlorophenoxy)-4-methoxybenzonitrile
CID 81302576
3,4-diamino-2-methoxybenzonitrile
CID 67059560
2-(aminomethyl)-4-methoxybenzonitrile
CID 22464511
6-methoxy-1H-indole-3-carbonitrile
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1,5-dimethoxynaphthalene-2,6-dicarbonitrile
CID 169050323
3-(2-amino-5-methoxyphenoxy)pyridazine-4-carbonitrile
CID 102702927
2-ethynyl-5-methoxybenzonitrile
CID 166529929
4-methoxy-2-[(E)-2-methoxyethenyl]benzonitrile
CID 101247472
3-(4-amino-3-methoxyphenoxy)-5-methoxybenzonitrile
CID 103566398
2-(2-amino-4-chlorophenoxy)-4-methoxybenzonitrile
CID 81302575
4-amino-2-(cyanomethyl)-3-methoxybenzonitrile
CID 171013511
CID 157150366
CID 157150366

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-methoxynaphthalene-1-carbonitrile?
The IUPAC name of 4-amino-7-methoxynaphthalene-1-carbonitrile (CID 131535319) is 4-amino-7-methoxynaphthalene-1-carbonitrile.
What is the SMILES notation for 4-amino-7-methoxynaphthalene-1-carbonitrile?
The canonical SMILES for 4-amino-7-methoxynaphthalene-1-carbonitrile is COc1ccc2c(N)ccc(C#N)c2c1.
What is the InChIKey of 4-amino-7-methoxynaphthalene-1-carbonitrile?
The InChIKey is OTELRHKZZNJSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-15-9-3-4-10-11(6-9)8(7-13)2-5-12(10)14/h2-6H,14H2,1H3.
What are the key properties of 4-amino-7-methoxynaphthalene-1-carbonitrile?
4-amino-7-methoxynaphthalene-1-carbonitrile has a molecular weight of 198.22 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-methoxynaphthalene-1-carbonitrile is sourced from PubChem (CID 131535319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).