methyl 3-phenylpropanimidate;hydrochloride

C10H14ClNO — CID 21273004

IUPACmethyl 3-phenylpropanimidate;hydrochloride
SMILESCl.[H]/N=C(/CCc1ccccc1)OC
InChIInChI=1S/C10H13NO.ClH/c1-12-10(11)8-7-9-5-3-2-4-6-9;/h2-6,11H,7-8H2,1H3;1H/b11-10-;
InChIKeyISBHYTPAWODNNW-GMFCBQQYSA-N
MW199.68 g/mol
LogP2.66
Rot. Bonds3

About methyl 3-phenylpropanimidate;hydrochloride

methyl 3-phenylpropanimidate;hydrochloride (PubChem CID 21273004) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is methyl 3-phenylpropanimidate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-phenylpropanimidate;hydrochloride
PubChem CID21273004
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Namemethyl 3-phenylpropanimidate;hydrochloride
SMILESCl.[H]/N=C(/CCc1ccccc1)OC
InChIInChI=1S/C10H13NO.ClH/c1-12-10(11)8-7-9-5-3-2-4-6-9;/h2-6,11H,7-8H2,1H3;1H/b11-10-;
InChIKeyISBHYTPAWODNNW-GMFCBQQYSA-N
XLogP2.66
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.66
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 methyl 3-phenylpropanimidate;hydrochloride?
The IUPAC name of methyl 3-phenylpropanimidate;hydrochloride (CID 21273004) is methyl 3-phenylpropanimidate;hydrochloride.
What is the SMILES notation for methyl 3-phenylpropanimidate;hydrochloride?
The canonical SMILES for methyl 3-phenylpropanimidate;hydrochloride is Cl.[H]/N=C(/CCc1ccccc1)OC.
What is the InChIKey of methyl 3-phenylpropanimidate;hydrochloride?
The InChIKey is ISBHYTPAWODNNW-GMFCBQQYSA-N. The full InChI is InChI=1S/C10H13NO.ClH/c1-12-10(11)8-7-9-5-3-2-4-6-9;/h2-6,11H,7-8H2,1H3;1H/b11-10-;.
What are the key properties of methyl 3-phenylpropanimidate;hydrochloride?
methyl 3-phenylpropanimidate;hydrochloride has a molecular weight of 199.68 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenylpropanimidate;hydrochloride is sourced from PubChem (CID 21273004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).