2-(2-aminonaphthalen-1-yl)acetonitrile

C12H10N2 — CID 119016645

IUPAC2-(2-aminonaphthalen-1-yl)acetonitrile
SMILESN#CCc1c(N)ccc2ccccc12
InChIInChI=1S/C12H10N2/c13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)14/h1-6H,7,14H2
InChIKeyCJMGDQUVHODPKF-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.49
Rot. Bonds1

About 2-(2-aminonaphthalen-1-yl)acetonitrile

2-(2-aminonaphthalen-1-yl)acetonitrile (PubChem CID 119016645) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-(2-aminonaphthalen-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-aminonaphthalen-1-yl)acetonitrile
PubChem CID119016645
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name2-(2-aminonaphthalen-1-yl)acetonitrile
SMILESN#CCc1c(N)ccc2ccccc12
InChIInChI=1S/C12H10N2/c13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)14/h1-6H,7,14H2
InChIKeyCJMGDQUVHODPKF-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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Related Compounds

2-[2-(trifluoromethyl)naphthalen-1-yl]acetonitrile
CID 119014714
1-(2-aminoethyl)naphthalen-2-amine
CID 57093964
2-(2-nitronaphthalen-1-yl)acetonitrile
CID 11321809
2-(4-aminonaphthalen-2-yl)acetonitrile
CID 118802248
[1-(cyanomethyl)naphthalen-2-yl]methyl carbamimidothioate
CID 59591110
2-[2-(2-aminophenyl)-1H-indol-3-yl]acetonitrile
CID 10879441
1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride
CID 139641730
2-[1-[2-(dimethylamino)ethyl]naphthalen-2-yl]acetonitrile
CID 23618057
CID 174017027
CID 174017027
1-phosphanylnaphthalen-2-amine
CID 15207058
1-(2-aminophenyl)naphthalen-2-amine
CID 11424829
3-anthracen-9-ylpropanenitrile
CID 14069397

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminonaphthalen-1-yl)acetonitrile?
The IUPAC name of 2-(2-aminonaphthalen-1-yl)acetonitrile (CID 119016645) is 2-(2-aminonaphthalen-1-yl)acetonitrile.
What is the SMILES notation for 2-(2-aminonaphthalen-1-yl)acetonitrile?
The canonical SMILES for 2-(2-aminonaphthalen-1-yl)acetonitrile is N#CCc1c(N)ccc2ccccc12.
What is the InChIKey of 2-(2-aminonaphthalen-1-yl)acetonitrile?
The InChIKey is CJMGDQUVHODPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)14/h1-6H,7,14H2.
What are the key properties of 2-(2-aminonaphthalen-1-yl)acetonitrile?
2-(2-aminonaphthalen-1-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-(2-aminonaphthalen-1-yl)acetonitrile is sourced from PubChem (CID 119016645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).