(4R)-4-aminocyclohexa-1,5-diene-1,4-diol

C6H9NO2 — CID 151175550

IUPAC(4R)-4-aminocyclohexa-1,5-diene-1,4-diol
SMILESN[C@]1(O)C=CC(O)=CC1
InChIInChI=1S/C6H9NO2/c7-6(9)3-1-5(8)2-4-6/h1-3,8-9H,4,7H2/t6-/m0/s1
InChIKeyNDEQBSZXBZYKNS-LURJTMIESA-N
MW127.14 g/mol
LogP0.04
Rot. Bonds

About (4R)-4-aminocyclohexa-1,5-diene-1,4-diol

(4R)-4-aminocyclohexa-1,5-diene-1,4-diol (PubChem CID 151175550) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (4R)-4-aminocyclohexa-1,5-diene-1,4-diol.

Molecular Properties

Compound Name(4R)-4-aminocyclohexa-1,5-diene-1,4-diol
PubChem CID151175550
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(4R)-4-aminocyclohexa-1,5-diene-1,4-diol
SMILESN[C@]1(O)C=CC(O)=CC1
InChIInChI=1S/C6H9NO2/c7-6(9)3-1-5(8)2-4-6/h1-3,8-9H,4,7H2/t6-/m0/s1
InChIKeyNDEQBSZXBZYKNS-LURJTMIESA-N
XLogP0.04
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,4-Diaminophenol
CID 17775528
3-Aminoresorcinol
CID 18462135
c1-Aminophenol
CID 20474799
4-Amino-quinol
CID 70366629
1,4-Diaminocyclohexa-3,5-diene-1,3-diol
CID 22475732
1-Amino-4-methoxyphenol
CID 22993362
1-Amino-6-methylcyclohexa-2,4-dien-1-ol
CID 23047997
1-Amino-5-chlorocyclohexa-2,4-dien-1-ol
CID 67612889
3-Aminocyclohexa-1,4-diene-1,3,5-triol
CID 67747299
5-Aminocyclohexa-1,3-diene-1,3,5-triol
CID 67747300
6,6-Diaminocyclohexa-2,4-diene-1,1,3-triol
CID 68498260
3,3-Diaminocyclohexa-1,5-dien-1-ol
CID 70116897

Frequently Asked Questions

What is the IUPAC name of (4R)-4-aminocyclohexa-1,5-diene-1,4-diol?
The IUPAC name of (4R)-4-aminocyclohexa-1,5-diene-1,4-diol (CID 151175550) is (4R)-4-aminocyclohexa-1,5-diene-1,4-diol.
What is the SMILES notation for (4R)-4-aminocyclohexa-1,5-diene-1,4-diol?
The canonical SMILES for (4R)-4-aminocyclohexa-1,5-diene-1,4-diol is N[C@]1(O)C=CC(O)=CC1.
What is the InChIKey of (4R)-4-aminocyclohexa-1,5-diene-1,4-diol?
The InChIKey is NDEQBSZXBZYKNS-LURJTMIESA-N. The full InChI is InChI=1S/C6H9NO2/c7-6(9)3-1-5(8)2-4-6/h1-3,8-9H,4,7H2/t6-/m0/s1.
What are the key properties of (4R)-4-aminocyclohexa-1,5-diene-1,4-diol?
(4R)-4-aminocyclohexa-1,5-diene-1,4-diol has a molecular weight of 127.14 g/mol, XLogP of 0.04, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-aminocyclohexa-1,5-diene-1,4-diol is sourced from PubChem (CID 151175550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).