(E)-3-(4-chlorophenyl)-N'-hydroxyprop-2-enimidamide;hydrate

C9H11ClN2O2 — CID 173457172

IUPAC(E)-3-(4-chlorophenyl)-N'-hydroxyprop-2-enimidamide;hydrate
SMILESNC(/C=C/c1ccc(Cl)cc1)=NO.O
InChIInChI=1S/C9H9ClN2O.H2O/c10-8-4-1-7(2-5-8)3-6-9(11)12-13;/h1-6,13H,(H2,11,12);1H2/b6-3+;
InChIKeyMYBXSLSBNRKKIE-ZIKNSQGESA-N
MW214.65 g/mol
LogP1.27
Rot. Bonds2

About (E)-3-(4-chlorophenyl)-N'-hydroxyprop-2-enimidamide;hydrate

(E)-3-(4-chlorophenyl)-N'-hydroxyprop-2-enimidamide;hydrate (PubChem CID 173457172) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N'-hydroxyprop-2-enimidamide;hydrate.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N'-hydroxyprop-2-enimidamide;hydrate
PubChem CID173457172
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name(E)-3-(4-chlorophenyl)-N'-hydroxyprop-2-enimidamide;hydrate
SMILESNC(/C=C/c1ccc(Cl)cc1)=NO.O
InChIInChI=1S/C9H9ClN2O.H2O/c10-8-4-1-7(2-5-8)3-6-9(11)12-13;/h1-6,13H,(H2,11,12);1H2/b6-3+;
InChIKeyMYBXSLSBNRKKIE-ZIKNSQGESA-N
XLogP1.27
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.27
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
(NE)-N-[(E)-1,3-bis(4-chlorophenyl)prop-2-enylidene]hydroxylamine
CID 70693742
(E)-N'-(4-chlorophenyl)-3-phenylprop-2-enimidamide
CID 59789908
3-(4-chlorophenyl)-N-(diaminomethylidene)prop-2-enamide
CID 69436446
(NE)-N-[(E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-enylidene]hydroxylamine
CID 11121251
(E)-3-(4-chlorophenyl)prop-2-enoyl chloride
CID 11252649
(E)-N'-(4-chlorophenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enimidamide
CID 11187118
(E)-N'-(4-chlorophenyl)-3-[4-[ethyl(methyl)amino]phenyl]prop-2-enimidamide
CID 143072549
(E)-N'-(4-chlorophenyl)-3-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-enimidamide
CID 59789896
(E)-3-(4-chlorophenyl)prop-2-enoic acid;silver
CID 88781807
CID 59090945
CID 59090945
(E)-3-(4-chlorophenyl)prop-2-enoyl bromide
CID 19079844

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N'-hydroxyprop-2-enimidamide;hydrate?
The IUPAC name of (E)-3-(4-chlorophenyl)-N'-hydroxyprop-2-enimidamide;hydrate (CID 173457172) is (E)-3-(4-chlorophenyl)-N'-hydroxyprop-2-enimidamide;hydrate.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N'-hydroxyprop-2-enimidamide;hydrate?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N'-hydroxyprop-2-enimidamide;hydrate is NC(/C=C/c1ccc(Cl)cc1)=NO.O.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N'-hydroxyprop-2-enimidamide;hydrate?
The InChIKey is MYBXSLSBNRKKIE-ZIKNSQGESA-N. The full InChI is InChI=1S/C9H9ClN2O.H2O/c10-8-4-1-7(2-5-8)3-6-9(11)12-13;/h1-6,13H,(H2,11,12);1H2/b6-3+;.
What are the key properties of (E)-3-(4-chlorophenyl)-N'-hydroxyprop-2-enimidamide;hydrate?
(E)-3-(4-chlorophenyl)-N'-hydroxyprop-2-enimidamide;hydrate has a molecular weight of 214.65 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N'-hydroxyprop-2-enimidamide;hydrate is sourced from PubChem (CID 173457172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).