5-anilino-1-phenyliminopenta-1,3-dien-2-ol;hydrochloride

C17H17ClN2O — CID 176529986

IUPAC5-anilino-1-phenyliminopenta-1,3-dien-2-ol;hydrochloride
SMILESCl.OC(=C=Nc1ccccc1)C=CCNc1ccccc1
InChIInChI=1S/C17H16N2O.ClH/c20-17(14-19-16-10-5-2-6-11-16)12-7-13-18-15-8-3-1-4-9-15;/h1-12,18,20H,13H2;1H
InChIKeyLXXDEPUJCBMUIR-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.52
Rot. Bonds5

About 5-anilino-1-phenyliminopenta-1,3-dien-2-ol;hydrochloride

5-anilino-1-phenyliminopenta-1,3-dien-2-ol;hydrochloride (PubChem CID 176529986) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 5-anilino-1-phenyliminopenta-1,3-dien-2-ol;hydrochloride.

Molecular Properties

Compound Name5-anilino-1-phenyliminopenta-1,3-dien-2-ol;hydrochloride
PubChem CID176529986
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name5-anilino-1-phenyliminopenta-1,3-dien-2-ol;hydrochloride
SMILESCl.OC(=C=Nc1ccccc1)C=CCNc1ccccc1
InChIInChI=1S/C17H16N2O.ClH/c20-17(14-19-16-10-5-2-6-11-16)12-7-13-18-15-8-3-1-4-9-15;/h1-12,18,20H,13H2;1H
InChIKeyLXXDEPUJCBMUIR-UHFFFAOYSA-N
XLogP4.52
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-N,N'-diphenylbut-2-ene-1,4-diamine
CID 101288969
N,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride
CID 156769012
N,N'-diphenylbut-2-ene-1,4-diamine;ethane;N-prop-2-enylaniline
CID 159867167
3-[[(Z)-4-methylimino-4-phenylbut-2-enyl]amino]benzoic acid
CID 174185311
(4E)-N-phenyl-2-trimethylsilylhexa-1,4-dien-1-imine
CID 15712021
disodium;N,N'-diphenylethane-1,2-diamine;hydride
CID 173210842
(Z)-4-anilino-2-phenylbut-2-en-1-ol
CID 177431332
(E)-4-(3-carbamoylanilino)but-2-enoic acid
CID 107808981
potassium;sodium;2-anilinoacetic acid;hydride
CID 174390322
1-anilino-3-phenyliminopropan-2-one
CID 91514500
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
2-anilinoacetic acid;formic acid
CID 174518720

Frequently Asked Questions

What is the IUPAC name of 5-anilino-1-phenyliminopenta-1,3-dien-2-ol;hydrochloride?
The IUPAC name of 5-anilino-1-phenyliminopenta-1,3-dien-2-ol;hydrochloride (CID 176529986) is 5-anilino-1-phenyliminopenta-1,3-dien-2-ol;hydrochloride.
What is the SMILES notation for 5-anilino-1-phenyliminopenta-1,3-dien-2-ol;hydrochloride?
The canonical SMILES for 5-anilino-1-phenyliminopenta-1,3-dien-2-ol;hydrochloride is Cl.OC(=C=Nc1ccccc1)C=CCNc1ccccc1.
What is the InChIKey of 5-anilino-1-phenyliminopenta-1,3-dien-2-ol;hydrochloride?
The InChIKey is LXXDEPUJCBMUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O.ClH/c20-17(14-19-16-10-5-2-6-11-16)12-7-13-18-15-8-3-1-4-9-15;/h1-12,18,20H,13H2;1H.
What are the key properties of 5-anilino-1-phenyliminopenta-1,3-dien-2-ol;hydrochloride?
5-anilino-1-phenyliminopenta-1,3-dien-2-ol;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-1-phenyliminopenta-1,3-dien-2-ol;hydrochloride is sourced from PubChem (CID 176529986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).