(1Z)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol

C13H18N2O — CID 14470973

IUPAC(1Z)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol
SMILESC=CCC(O)/C(=N\N(C)C)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-4-8-12(16)13(14-15(2)3)11-9-6-5-7-10-11/h4-7,9-10,12,16H,1,8H2,2-3H3/b14-13-
InChIKeyPVLIVKVOPNQICH-YPKPFQOOSA-N
MW218.30 g/mol
LogP1.89
Rot. Bonds5

About (1Z)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol

(1Z)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol (PubChem CID 14470973) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (1Z)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol.

Molecular Properties

Compound Name(1Z)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol
PubChem CID14470973
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(1Z)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol
SMILESC=CCC(O)/C(=N\N(C)C)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-4-8-12(16)13(14-15(2)3)11-9-6-5-7-10-11/h4-7,9-10,12,16H,1,8H2,2-3H3/b14-13-
InChIKeyPVLIVKVOPNQICH-YPKPFQOOSA-N
XLogP1.89
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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1-(Hydroxyimino)-1-phenylpropan-2-ol
CID 71328503
2-Methylimino-1-phenylpropan-1-ol
CID 78202320
Hydroxy-5-nonylacetophenone oxime
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CID 365916
[(E)-[2-hydroxy-1-(3,4,5-trifluorophenyl)propylidene]amino]-methylcarbamic acid
CID 137462852
5-(4-Fluorophenyl)-2-methyl-3,4-dihydropyrazol-3-ol
CID 141736227
(Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol
CID 145107690
1-(4-Fluorophenyl)-1-methyliminopropan-2-ol
CID 149089454

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol?
The IUPAC name of (1Z)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol (CID 14470973) is (1Z)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol.
What is the SMILES notation for (1Z)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol?
The canonical SMILES for (1Z)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol is C=CCC(O)/C(=N\N(C)C)c1ccccc1.
What is the InChIKey of (1Z)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol?
The InChIKey is PVLIVKVOPNQICH-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-8-12(16)13(14-15(2)3)11-9-6-5-7-10-11/h4-7,9-10,12,16H,1,8H2,2-3H3/b14-13-.
What are the key properties of (1Z)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol?
(1Z)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol has a molecular weight of 218.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol is sourced from PubChem (CID 14470973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).