(4-hydroxycyclohexa-2,4-dien-1-ylidene)azanium chloride

C6H8ClNO — CID 53429663

IUPAC(4-hydroxycyclohexa-2,4-dien-1-ylidene)azanium chloride
SMILES[Cl-].[NH2+]=C1C=CC(O)=CC1
InChIInChI=1S/C6H7NO.ClH/c7-5-1-3-6(8)4-2-5;/h1,3-4,7-8H,2H2;1H
InChIKeyDYJHJGYPPFXQES-UHFFFAOYSA-N
MW145.59 g/mol
LogP-3.41
Rot. Bonds

About (4-hydroxycyclohexa-2,4-dien-1-ylidene)azanium chloride

(4-hydroxycyclohexa-2,4-dien-1-ylidene)azanium chloride (PubChem CID 53429663) has the molecular formula C6H8ClNO and a molecular weight of 145.59 g/mol. Its IUPAC name is (4-hydroxycyclohexa-2,4-dien-1-ylidene)azanium chloride.

Molecular Properties

Compound Name(4-hydroxycyclohexa-2,4-dien-1-ylidene)azanium chloride
PubChem CID53429663
Molecular FormulaC6H8ClNO
Molecular Weight145.59 g/mol
Exact Mass145.03
IUPAC Name(4-hydroxycyclohexa-2,4-dien-1-ylidene)azanium chloride
SMILES[Cl-].[NH2+]=C1C=CC(O)=CC1
InChIInChI=1S/C6H7NO.ClH/c7-5-1-3-6(8)4-2-5;/h1,3-4,7-8H,2H2;1H
InChIKeyDYJHJGYPPFXQES-UHFFFAOYSA-N
XLogP-3.41
TPSA45.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 5-3.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-propan-2-ylidenecyclohexa-1,5-dien-1-ol
CID 22416452
5-(hydroxymethyl)cyclohepta-1,4,6-trien-1-ol
CID 143593276
4-methyliminocyclohexa-1,5-dien-1-ol;sulfuric acid
CID 175087999
(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-ol
CID 143207326
5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-ol
CID 142555250
5-phenylcyclohepta-1,4,6-trien-1-ol
CID 143129599
4-aminocyclopenta-1,4-dien-1-ol
CID 163712824
cyclohepta-1,4,6-trien-1-ol;propane
CID 143919108
4-[3-[[3-(1,4-dihydroxycyclohexa-2,4-dien-1-yl)oxiran-2-yl]methoxymethyl]oxiran-2-yl]cyclohexa-1,5-diene-1,4-diol
CID 139886951
cyclohepta-2,4,7-triene-1,4-dicarbonyl chloride
CID 146590526
bis(1,4-dihydroxycyclohexa-2,4-dien-1-yl)methanone
CID 141380895
1,1-dioxo-2H-thiopyran-4-ol
CID 152758655

Frequently Asked Questions

What is the IUPAC name of (4-hydroxycyclohexa-2,4-dien-1-ylidene)azanium chloride?
The IUPAC name of (4-hydroxycyclohexa-2,4-dien-1-ylidene)azanium chloride (CID 53429663) is (4-hydroxycyclohexa-2,4-dien-1-ylidene)azanium chloride.
What is the SMILES notation for (4-hydroxycyclohexa-2,4-dien-1-ylidene)azanium chloride?
The canonical SMILES for (4-hydroxycyclohexa-2,4-dien-1-ylidene)azanium chloride is [Cl-].[NH2+]=C1C=CC(O)=CC1.
What is the InChIKey of (4-hydroxycyclohexa-2,4-dien-1-ylidene)azanium chloride?
The InChIKey is DYJHJGYPPFXQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.ClH/c7-5-1-3-6(8)4-2-5;/h1,3-4,7-8H,2H2;1H.
What are the key properties of (4-hydroxycyclohexa-2,4-dien-1-ylidene)azanium chloride?
(4-hydroxycyclohexa-2,4-dien-1-ylidene)azanium chloride has a molecular weight of 145.59 g/mol, XLogP of -3.41, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxycyclohexa-2,4-dien-1-ylidene)azanium chloride is sourced from PubChem (CID 53429663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).