(5E)-5-hydroxyimino-5-phenylpent-1-en-3-ol

C11H13NO2 — CID 139841509

IUPAC(5E)-5-hydroxyimino-5-phenylpent-1-en-3-ol
SMILESC=CC(O)C/C(=N\O)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-2-10(13)8-11(12-14)9-6-4-3-5-7-9/h2-7,10,13-14H,1,8H2/b12-11+
InChIKeyCWFXWFGVDVSNGN-VAWYXSNFSA-N
MW191.23 g/mol
LogP1.80
Rot. Bonds4

About (5E)-5-hydroxyimino-5-phenylpent-1-en-3-ol

(5E)-5-hydroxyimino-5-phenylpent-1-en-3-ol (PubChem CID 139841509) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (5E)-5-hydroxyimino-5-phenylpent-1-en-3-ol.

Molecular Properties

Compound Name(5E)-5-hydroxyimino-5-phenylpent-1-en-3-ol
PubChem CID139841509
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(5E)-5-hydroxyimino-5-phenylpent-1-en-3-ol
SMILESC=CC(O)C/C(=N\O)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-2-10(13)8-11(12-14)9-6-4-3-5-7-9/h2-7,10,13-14H,1,8H2/b12-11+
InChIKeyCWFXWFGVDVSNGN-VAWYXSNFSA-N
XLogP1.80
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.80
H-Bond Donors ≤ 52
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3-hydroxy-1-phenylpent-4-enylidene)amino] benzoate
CID 139841539
(NZ)-N-[(5Z)-5-hydroxyimino-1,3,5-triphenylpentylidene]hydroxylamine
CID 74229627
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502
1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol
CID 85437581
copper;2-hydroxyimino-2-phenylethanol
CID 88811267
(NZ)-N-(2-chloro-1-phenylethylidene)hydroxylamine
CID 139192653
(NE)-N-[1-(4-ethenylphenyl)-2-phenylethylidene]hydroxylamine
CID 20741114
(3R,5Z)-6-iodo-6-phenylhexa-1,5-dien-3-ol
CID 102255977
CID 134863341
CID 134863341
(6Z)-6-hydroxyimino-6-phenylhexanoic acid
CID 121009203
(NE)-N-[1-phenyl-3-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butylidene]hydroxylamine
CID 10469787
benzyl (3R)-3-hydroxypent-4-enoate
CID 101049169

Frequently Asked Questions

What is the IUPAC name of (5E)-5-hydroxyimino-5-phenylpent-1-en-3-ol?
The IUPAC name of (5E)-5-hydroxyimino-5-phenylpent-1-en-3-ol (CID 139841509) is (5E)-5-hydroxyimino-5-phenylpent-1-en-3-ol.
What is the SMILES notation for (5E)-5-hydroxyimino-5-phenylpent-1-en-3-ol?
The canonical SMILES for (5E)-5-hydroxyimino-5-phenylpent-1-en-3-ol is C=CC(O)C/C(=N\O)c1ccccc1.
What is the InChIKey of (5E)-5-hydroxyimino-5-phenylpent-1-en-3-ol?
The InChIKey is CWFXWFGVDVSNGN-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-10(13)8-11(12-14)9-6-4-3-5-7-9/h2-7,10,13-14H,1,8H2/b12-11+.
What are the key properties of (5E)-5-hydroxyimino-5-phenylpent-1-en-3-ol?
(5E)-5-hydroxyimino-5-phenylpent-1-en-3-ol has a molecular weight of 191.23 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-hydroxyimino-5-phenylpent-1-en-3-ol is sourced from PubChem (CID 139841509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).