(4-hydroxycyclohexa-1,3-dien-1-yl)azanium

C6H10NO+ — CID 142986038

IUPAC(4-hydroxycyclohexa-1,3-dien-1-yl)azanium
SMILES[NH3+]C1=CC=C(O)CC1
InChIInChI=1S/C6H9NO/c7-5-1-3-6(8)4-2-5/h1,3,8H,2,4,7H2/p+1
InChIKeyAJYVFMIKVDVFIW-UHFFFAOYSA-O
MW112.15 g/mol
LogP0.35
Rot. Bonds

About (4-hydroxycyclohexa-1,3-dien-1-yl)azanium

(4-hydroxycyclohexa-1,3-dien-1-yl)azanium (PubChem CID 142986038) has the molecular formula C6H10NO+ and a molecular weight of 112.15 g/mol. Its IUPAC name is (4-hydroxycyclohexa-1,3-dien-1-yl)azanium.

Molecular Properties

Compound Name(4-hydroxycyclohexa-1,3-dien-1-yl)azanium
PubChem CID142986038
Molecular FormulaC6H10NO+
Molecular Weight112.15 g/mol
Exact Mass112.08
IUPAC Name(4-hydroxycyclohexa-1,3-dien-1-yl)azanium
SMILES[NH3+]C1=CC=C(O)CC1
InChIInChI=1S/C6H9NO/c7-5-1-3-6(8)4-2-5/h1,3,8H,2,4,7H2/p+1
InChIKeyAJYVFMIKVDVFIW-UHFFFAOYSA-O
XLogP0.35
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.15
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-Amino-4-fluorocyclohexa-1,3-dien-1-ol
CID 88978454
4-Amino-6-fluorocyclohexa-1,3-dien-1-ol
CID 118297290
4-Amino-3-fluoro-5-methylcyclohexa-1,3-dien-1-ol
CID 143768450
4-Amino-2-fluorocyclohexa-1,3-dien-1-ol
CID 144262840
4-Amino-3-fluorocyclohexa-1,3-dien-1-ol
CID 145611807
(4-Aminocyclohexa-1,3-dien-1-yl) hypofluorite
CID 144590489
4-Aminocyclohexa-1,3-dien-1-ol
CID 20556824
3-Aminocyclohexa-1,3-dien-1-ol
CID 22164043
5-Aminocyclohexa-1,5-dien-1-ol
CID 68302232
4-(Methylamino)cyclohexa-1,3-dien-1-ol
CID 68342273
3-Amino-6-methylidenecyclohexa-1,3-dien-1-ol
CID 70526466
4-Amino-6-chlorocyclohexa-1,3-dien-1-ol
CID 89017882

Frequently Asked Questions

What is the IUPAC name of (4-hydroxycyclohexa-1,3-dien-1-yl)azanium?
The IUPAC name of (4-hydroxycyclohexa-1,3-dien-1-yl)azanium (CID 142986038) is (4-hydroxycyclohexa-1,3-dien-1-yl)azanium.
What is the SMILES notation for (4-hydroxycyclohexa-1,3-dien-1-yl)azanium?
The canonical SMILES for (4-hydroxycyclohexa-1,3-dien-1-yl)azanium is [NH3+]C1=CC=C(O)CC1.
What is the InChIKey of (4-hydroxycyclohexa-1,3-dien-1-yl)azanium?
The InChIKey is AJYVFMIKVDVFIW-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H9NO/c7-5-1-3-6(8)4-2-5/h1,3,8H,2,4,7H2/p+1.
What are the key properties of (4-hydroxycyclohexa-1,3-dien-1-yl)azanium?
(4-hydroxycyclohexa-1,3-dien-1-yl)azanium has a molecular weight of 112.15 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxycyclohexa-1,3-dien-1-yl)azanium is sourced from PubChem (CID 142986038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).