(E)-N'-hydroxy-3-(4-methylphenyl)but-2-enimidamide

C11H14N2O — CID 91294763

IUPAC(E)-N'-hydroxy-3-(4-methylphenyl)but-2-enimidamide
SMILESC/C(=C\C(N)=N/O)c1ccc(C)cc1
InChIInChI=1S/C11H14N2O/c1-8-3-5-10(6-4-8)9(2)7-11(12)13-14/h3-7,14H,1-2H3,(H2,12,13)/b9-7+
InChIKeyIUVRHJTYEVETAZ-VQHVLOKHSA-N
MW190.25 g/mol
LogP2.14
Rot. Bonds2

About (E)-N'-hydroxy-3-(4-methylphenyl)but-2-enimidamide

(E)-N'-hydroxy-3-(4-methylphenyl)but-2-enimidamide (PubChem CID 91294763) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (E)-N'-hydroxy-3-(4-methylphenyl)but-2-enimidamide.

Molecular Properties

Compound Name(E)-N'-hydroxy-3-(4-methylphenyl)but-2-enimidamide
PubChem CID91294763
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(E)-N'-hydroxy-3-(4-methylphenyl)but-2-enimidamide
SMILESC/C(=C\C(N)=N/O)c1ccc(C)cc1
InChIInChI=1S/C11H14N2O/c1-8-3-5-10(6-4-8)9(2)7-11(12)13-14/h3-7,14H,1-2H3,(H2,12,13)/b9-7+
InChIKeyIUVRHJTYEVETAZ-VQHVLOKHSA-N
XLogP2.14
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.14
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)-1,3-bis(4-methylphenyl)but-2-en-1-one
CID 98548443
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251
1-but-2-en-2-yl-4-methylbenzene
CID 12583115
ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine
CID 172965019
1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
CID 169013280
(1-amino-3-phenylbut-2-enylidene)urea
CID 57144193
1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234
(NZ)-N-[4-methyl-1-(4-methylphenyl)pent-3-enylidene]hydroxylamine
CID 177415583
(NZ)-N-[2-amino-2-methyl-1-(4-methylphenyl)propylidene]hydroxylamine
CID 12586213
N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethylbenzamide
CID 76928136
1-methyl-4-[(E)-2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]benzene
CID 23652184
ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
CID 91583110

Frequently Asked Questions

What is the IUPAC name of (E)-N'-hydroxy-3-(4-methylphenyl)but-2-enimidamide?
The IUPAC name of (E)-N'-hydroxy-3-(4-methylphenyl)but-2-enimidamide (CID 91294763) is (E)-N'-hydroxy-3-(4-methylphenyl)but-2-enimidamide.
What is the SMILES notation for (E)-N'-hydroxy-3-(4-methylphenyl)but-2-enimidamide?
The canonical SMILES for (E)-N'-hydroxy-3-(4-methylphenyl)but-2-enimidamide is C/C(=C\C(N)=N/O)c1ccc(C)cc1.
What is the InChIKey of (E)-N'-hydroxy-3-(4-methylphenyl)but-2-enimidamide?
The InChIKey is IUVRHJTYEVETAZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-3-5-10(6-4-8)9(2)7-11(12)13-14/h3-7,14H,1-2H3,(H2,12,13)/b9-7+.
What are the key properties of (E)-N'-hydroxy-3-(4-methylphenyl)but-2-enimidamide?
(E)-N'-hydroxy-3-(4-methylphenyl)but-2-enimidamide has a molecular weight of 190.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-hydroxy-3-(4-methylphenyl)but-2-enimidamide is sourced from PubChem (CID 91294763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).