N'-hydroxy-4-prop-2-enoxybenzenecarboximidamide

C10H12N2O2 — CID 54847256

IUPACN'-hydroxy-4-prop-2-enoxybenzenecarboximidamide
SMILESC=CCOc1ccc(/C(N)=N\O)cc1
InChIInChI=1S/C10H12N2O2/c1-2-7-14-9-5-3-8(4-6-9)10(11)12-13/h2-6,13H,1,7H2,(H2,11,12)
InChIKeyZOUFGZOMBQONHQ-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.35
Rot. Bonds4

About N'-hydroxy-4-prop-2-enoxybenzenecarboximidamide

N'-hydroxy-4-prop-2-enoxybenzenecarboximidamide (PubChem CID 54847256) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is N'-hydroxy-4-prop-2-enoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-prop-2-enoxybenzenecarboximidamide
PubChem CID54847256
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC NameN'-hydroxy-4-prop-2-enoxybenzenecarboximidamide
SMILESC=CCOc1ccc(/C(N)=N\O)cc1
InChIInChI=1S/C10H12N2O2/c1-2-7-14-9-5-3-8(4-6-9)10(11)12-13/h2-6,13H,1,7H2,(H2,11,12)
InChIKeyZOUFGZOMBQONHQ-UHFFFAOYSA-N
XLogP1.35
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-[[4-(N'-hydroxycarbamimidoyl)phenoxy]methoxy]benzenecarboximidamide
CID 123536479
N'-hydroxy-4-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]methoxy]benzenecarboximidamide
CID 89475792
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide
CID 54847117
4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188257
N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide
CID 76883900
N'-hydroxy-2-methoxy-4-prop-2-enoxybenzenecarboximidamide
CID 59202029
4-[6-[3,5-bis[6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]hexoxy]phenoxy]hexoxy]-N'-hydroxybenzenecarboximidamide;ethane
CID 142380100
4-(5-fluoropentoxy)-N'-hydroxybenzenecarboximidamide
CID 114280249
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-prop-2-enoxybenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-prop-2-enoxybenzenecarboximidamide (CID 54847256) is N'-hydroxy-4-prop-2-enoxybenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-prop-2-enoxybenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-prop-2-enoxybenzenecarboximidamide is C=CCOc1ccc(/C(N)=N\O)cc1.
What is the InChIKey of N'-hydroxy-4-prop-2-enoxybenzenecarboximidamide?
The InChIKey is ZOUFGZOMBQONHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-7-14-9-5-3-8(4-6-9)10(11)12-13/h2-6,13H,1,7H2,(H2,11,12).
What are the key properties of N'-hydroxy-4-prop-2-enoxybenzenecarboximidamide?
N'-hydroxy-4-prop-2-enoxybenzenecarboximidamide has a molecular weight of 192.22 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-prop-2-enoxybenzenecarboximidamide is sourced from PubChem (CID 54847256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).