hydron;propanimidate;hydrochloride

C3H8ClNO — CID 173251815

IUPAChydron;propanimidate;hydrochloride
SMILESCl.[H+].[H]/N=C(\[O-])CC
InChIInChI=1S/C3H7NO.ClH/c1-2-3(4)5;/h2H2,1H3,(H2,4,5);1H
InChIKeyVHWJSJBTUWUEAL-UHFFFAOYSA-N
MW109.56 g/mol
LogP0.27
Rot. Bonds1

About hydron;propanimidate;hydrochloride

hydron;propanimidate;hydrochloride (PubChem CID 173251815) has the molecular formula C3H8ClNO and a molecular weight of 109.56 g/mol. Its IUPAC name is hydron;propanimidate;hydrochloride.

Molecular Properties

Compound Namehydron;propanimidate;hydrochloride
PubChem CID173251815
Molecular FormulaC3H8ClNO
Molecular Weight109.56 g/mol
Exact Mass109.03
IUPAC Namehydron;propanimidate;hydrochloride
SMILESCl.[H+].[H]/N=C(\[O-])CC
InChIInChI=1S/C3H7NO.ClH/c1-2-3(4)5;/h2H2,1H3,(H2,4,5);1H
InChIKeyVHWJSJBTUWUEAL-UHFFFAOYSA-N
XLogP0.27
TPSA46.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.56
LogP ≤ 50.27
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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Related Compounds

2-(ethylamino)ethanimidate
CID 148546390
2-ethylbutanimidate;hydrochloride
CID 19082418
3,4,4-trifluorobutanimidate;hydrochloride
CID 18376726
ethane-1,2-diamine;bis(hexadecanimidate)
CID 170842762
heptane-3,5-diimine
CID 142023911
ethanimidate;methane
CID 162090399
copper ethanimidate
CID 159106233
2-iminopentan-3-one;methanol
CID 144635571
methanamine;propanimidamide
CID 158653796
barium(2+);bis(5-imino-5-oxido-2-oxopentanoate)
CID 170987959
azanide;cobalt(2+);ethanimidate
CID 50921860
(8E,10E,12Z)-octadeca-8,10,12-trienimidate
CID 145462718

Frequently Asked Questions

What is the IUPAC name of hydron;propanimidate;hydrochloride?
The IUPAC name of hydron;propanimidate;hydrochloride (CID 173251815) is hydron;propanimidate;hydrochloride.
What is the SMILES notation for hydron;propanimidate;hydrochloride?
The canonical SMILES for hydron;propanimidate;hydrochloride is Cl.[H+].[H]/N=C(\[O-])CC.
What is the InChIKey of hydron;propanimidate;hydrochloride?
The InChIKey is VHWJSJBTUWUEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.ClH/c1-2-3(4)5;/h2H2,1H3,(H2,4,5);1H.
What are the key properties of hydron;propanimidate;hydrochloride?
hydron;propanimidate;hydrochloride has a molecular weight of 109.56 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;propanimidate;hydrochloride is sourced from PubChem (CID 173251815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).