2-prop-2-enoxybenzenecarboximidamide;hydrochloride

C10H13ClN2O — CID 22462384

IUPAC2-prop-2-enoxybenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1OCC=C
InChIInChI=1S/C10H12N2O.ClH/c1-2-7-13-9-6-4-3-5-8(9)10(11)12;/h2-6H,1,7H2,(H3,11,12);1H
InChIKeyAHYKDNWXISVXCU-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.96
Rot. Bonds4

About 2-prop-2-enoxybenzenecarboximidamide;hydrochloride

2-prop-2-enoxybenzenecarboximidamide;hydrochloride (PubChem CID 22462384) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-prop-2-enoxybenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name2-prop-2-enoxybenzenecarboximidamide;hydrochloride
PubChem CID22462384
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-prop-2-enoxybenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1OCC=C
InChIInChI=1S/C10H12N2O.ClH/c1-2-7-13-9-6-4-3-5-8(9)10(11)12;/h2-6H,1,7H2,(H3,11,12);1H
InChIKeyAHYKDNWXISVXCU-UHFFFAOYSA-N
XLogP1.96
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253873
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
2-(4-methylpentoxy)benzenecarboximidamide
CID 29002875
2-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 24702540
2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684381
2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253513
2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride
CID 21250688
2-(furan-2-ylmethoxy)benzenecarboximidamide
CID 28601541
2-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 24710159
CID 70191473
CID 70191473
2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxybenzenecarboximidamide;hydrochloride?
The IUPAC name of 2-prop-2-enoxybenzenecarboximidamide;hydrochloride (CID 22462384) is 2-prop-2-enoxybenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 2-prop-2-enoxybenzenecarboximidamide;hydrochloride?
The canonical SMILES for 2-prop-2-enoxybenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccccc1OCC=C.
What is the InChIKey of 2-prop-2-enoxybenzenecarboximidamide;hydrochloride?
The InChIKey is AHYKDNWXISVXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.ClH/c1-2-7-13-9-6-4-3-5-8(9)10(11)12;/h2-6H,1,7H2,(H3,11,12);1H.
What are the key properties of 2-prop-2-enoxybenzenecarboximidamide;hydrochloride?
2-prop-2-enoxybenzenecarboximidamide;hydrochloride has a molecular weight of 212.68 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxybenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 22462384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).