1-amino-4-methylnaphthalene-2-carbonitrile

C12H10N2 — CID 13381110

IUPAC1-amino-4-methylnaphthalene-2-carbonitrile
SMILESCc1cc(C#N)c(N)c2ccccc12
InChIInChI=1S/C12H10N2/c1-8-6-9(7-13)12(14)11-5-3-2-4-10(8)11/h2-6H,14H2,1H3
InChIKeyJMEDIWLINNPLNH-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.60
Rot. Bonds

About 1-amino-4-methylnaphthalene-2-carbonitrile

1-amino-4-methylnaphthalene-2-carbonitrile (PubChem CID 13381110) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-amino-4-methylnaphthalene-2-carbonitrile.

Molecular Properties

Compound Name1-amino-4-methylnaphthalene-2-carbonitrile
PubChem CID13381110
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name1-amino-4-methylnaphthalene-2-carbonitrile
SMILESCc1cc(C#N)c(N)c2ccccc12
InChIInChI=1S/C12H10N2/c1-8-6-9(7-13)12(14)11-5-3-2-4-10(8)11/h2-6H,14H2,1H3
InChIKeyJMEDIWLINNPLNH-UHFFFAOYSA-N
XLogP2.60
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-methylnaphthalene-2-carbonitrile?
The IUPAC name of 1-amino-4-methylnaphthalene-2-carbonitrile (CID 13381110) is 1-amino-4-methylnaphthalene-2-carbonitrile.
What is the SMILES notation for 1-amino-4-methylnaphthalene-2-carbonitrile?
The canonical SMILES for 1-amino-4-methylnaphthalene-2-carbonitrile is Cc1cc(C#N)c(N)c2ccccc12.
What is the InChIKey of 1-amino-4-methylnaphthalene-2-carbonitrile?
The InChIKey is JMEDIWLINNPLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-8-6-9(7-13)12(14)11-5-3-2-4-10(8)11/h2-6H,14H2,1H3.
What are the key properties of 1-amino-4-methylnaphthalene-2-carbonitrile?
1-amino-4-methylnaphthalene-2-carbonitrile has a molecular weight of 182.23 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-methylnaphthalene-2-carbonitrile is sourced from PubChem (CID 13381110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).