2-(4-aminonaphthalen-2-yl)acetonitrile

C12H10N2 — CID 118802248

IUPAC2-(4-aminonaphthalen-2-yl)acetonitrile
SMILESN#CCc1cc(N)c2ccccc2c1
InChIInChI=1S/C12H10N2/c13-6-5-9-7-10-3-1-2-4-11(10)12(14)8-9/h1-4,7-8H,5,14H2
InChIKeyJVCUZVUAZMDIOO-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.49
Rot. Bonds1

About 2-(4-aminonaphthalen-2-yl)acetonitrile

2-(4-aminonaphthalen-2-yl)acetonitrile (PubChem CID 118802248) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-(4-aminonaphthalen-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-aminonaphthalen-2-yl)acetonitrile
PubChem CID118802248
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name2-(4-aminonaphthalen-2-yl)acetonitrile
SMILESN#CCc1cc(N)c2ccccc2c1
InChIInChI=1S/C12H10N2/c13-6-5-9-7-10-3-1-2-4-11(10)12(14)8-9/h1-4,7-8H,5,14H2
InChIKeyJVCUZVUAZMDIOO-UHFFFAOYSA-N
XLogP2.49
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.49
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 2-(4-aminonaphthalen-2-yl)acetonitrile?
The IUPAC name of 2-(4-aminonaphthalen-2-yl)acetonitrile (CID 118802248) is 2-(4-aminonaphthalen-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-aminonaphthalen-2-yl)acetonitrile?
The canonical SMILES for 2-(4-aminonaphthalen-2-yl)acetonitrile is N#CCc1cc(N)c2ccccc2c1.
What is the InChIKey of 2-(4-aminonaphthalen-2-yl)acetonitrile?
The InChIKey is JVCUZVUAZMDIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c13-6-5-9-7-10-3-1-2-4-11(10)12(14)8-9/h1-4,7-8H,5,14H2.
What are the key properties of 2-(4-aminonaphthalen-2-yl)acetonitrile?
2-(4-aminonaphthalen-2-yl)acetonitrile has a molecular weight of 182.23 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminonaphthalen-2-yl)acetonitrile is sourced from PubChem (CID 118802248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).