ethyl naphthalene-2-carboximidate;hydrochloride

C13H14ClNO — CID 86674302

IUPACethyl naphthalene-2-carboximidate;hydrochloride
SMILESCl.[H]/N=C(\OCC)c1ccc2ccccc2c1
InChIInChI=1S/C13H13NO.ClH/c1-2-15-13(14)12-8-7-10-5-3-4-6-11(10)9-12;/h3-9,14H,2H2,1H3;1H/b14-13-;
InChIKeyUGMSGIJIZFVHPE-HPWRNOGASA-N
MW235.71 g/mol
LogP3.62
Rot. Bonds2

About ethyl naphthalene-2-carboximidate;hydrochloride

ethyl naphthalene-2-carboximidate;hydrochloride (PubChem CID 86674302) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is ethyl naphthalene-2-carboximidate;hydrochloride.

Molecular Properties

Compound Nameethyl naphthalene-2-carboximidate;hydrochloride
PubChem CID86674302
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Nameethyl naphthalene-2-carboximidate;hydrochloride
SMILESCl.[H]/N=C(\OCC)c1ccc2ccccc2c1
InChIInChI=1S/C13H13NO.ClH/c1-2-15-13(14)12-8-7-10-5-3-4-6-11(10)9-12;/h3-9,14H,2H2,1H3;1H/b14-13-;
InChIKeyUGMSGIJIZFVHPE-HPWRNOGASA-N
XLogP3.62
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl naphthalene-2-carboximidate;hydrochloride?
The IUPAC name of ethyl naphthalene-2-carboximidate;hydrochloride (CID 86674302) is ethyl naphthalene-2-carboximidate;hydrochloride.
What is the SMILES notation for ethyl naphthalene-2-carboximidate;hydrochloride?
The canonical SMILES for ethyl naphthalene-2-carboximidate;hydrochloride is Cl.[H]/N=C(\OCC)c1ccc2ccccc2c1.
What is the InChIKey of ethyl naphthalene-2-carboximidate;hydrochloride?
The InChIKey is UGMSGIJIZFVHPE-HPWRNOGASA-N. The full InChI is InChI=1S/C13H13NO.ClH/c1-2-15-13(14)12-8-7-10-5-3-4-6-11(10)9-12;/h3-9,14H,2H2,1H3;1H/b14-13-;.
What are the key properties of ethyl naphthalene-2-carboximidate;hydrochloride?
ethyl naphthalene-2-carboximidate;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl naphthalene-2-carboximidate;hydrochloride is sourced from PubChem (CID 86674302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).