2-amino-3,4-dihydro-1H-naphthalene-2-carbonitrile;hydrochloride

C11H13ClN2 — CID 19919898

IUPAC2-amino-3,4-dihydro-1H-naphthalene-2-carbonitrile;hydrochloride
SMILESCl.N#CC1(N)CCc2ccccc2C1
InChIInChI=1S/C11H12N2.ClH/c12-8-11(13)6-5-9-3-1-2-4-10(9)7-11;/h1-4H,5-7,13H2;1H
InChIKeyQIIDKSOFGHYBOY-UHFFFAOYSA-N
MW208.69 g/mol
LogP1.82
Rot. Bonds

About 2-amino-3,4-dihydro-1H-naphthalene-2-carbonitrile;hydrochloride

2-amino-3,4-dihydro-1H-naphthalene-2-carbonitrile;hydrochloride (PubChem CID 19919898) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-amino-3,4-dihydro-1H-naphthalene-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-amino-3,4-dihydro-1H-naphthalene-2-carbonitrile;hydrochloride
PubChem CID19919898
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name2-amino-3,4-dihydro-1H-naphthalene-2-carbonitrile;hydrochloride
SMILESCl.N#CC1(N)CCc2ccccc2C1
InChIInChI=1S/C11H12N2.ClH/c12-8-11(13)6-5-9-3-1-2-4-10(9)7-11;/h1-4H,5-7,13H2;1H
InChIKeyQIIDKSOFGHYBOY-UHFFFAOYSA-N
XLogP1.82
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,4-dihydro-1H-naphthalene-2-carbonitrile;hydrochloride?
The IUPAC name of 2-amino-3,4-dihydro-1H-naphthalene-2-carbonitrile;hydrochloride (CID 19919898) is 2-amino-3,4-dihydro-1H-naphthalene-2-carbonitrile;hydrochloride.
What is the SMILES notation for 2-amino-3,4-dihydro-1H-naphthalene-2-carbonitrile;hydrochloride?
The canonical SMILES for 2-amino-3,4-dihydro-1H-naphthalene-2-carbonitrile;hydrochloride is Cl.N#CC1(N)CCc2ccccc2C1.
What is the InChIKey of 2-amino-3,4-dihydro-1H-naphthalene-2-carbonitrile;hydrochloride?
The InChIKey is QIIDKSOFGHYBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.ClH/c12-8-11(13)6-5-9-3-1-2-4-10(9)7-11;/h1-4H,5-7,13H2;1H.
What are the key properties of 2-amino-3,4-dihydro-1H-naphthalene-2-carbonitrile;hydrochloride?
2-amino-3,4-dihydro-1H-naphthalene-2-carbonitrile;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,4-dihydro-1H-naphthalene-2-carbonitrile;hydrochloride is sourced from PubChem (CID 19919898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).