4-aminocyclohexa-2,6-diene-1,2-diol

C6H9NO2 — CID 89153872

IUPAC4-aminocyclohexa-2,6-diene-1,2-diol
SMILESNC1C=C(O)C(O)=CC1
InChIInChI=1S/C6H9NO2/c7-4-1-2-5(8)6(9)3-4/h2-4,8-9H,1,7H2
InChIKeyRUYXFMTYTUDXLE-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.60
Rot. Bonds

About 4-aminocyclohexa-2,6-diene-1,2-diol

4-aminocyclohexa-2,6-diene-1,2-diol (PubChem CID 89153872) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 4-aminocyclohexa-2,6-diene-1,2-diol.

Molecular Properties

Compound Name4-aminocyclohexa-2,6-diene-1,2-diol
PubChem CID89153872
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name4-aminocyclohexa-2,6-diene-1,2-diol
SMILESNC1C=C(O)C(O)=CC1
InChIInChI=1S/C6H9NO2/c7-4-1-2-5(8)6(9)3-4/h2-4,8-9H,1,7H2
InChIKeyRUYXFMTYTUDXLE-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-aminocyclohexa-2,6-diene-1,2-diol?
The IUPAC name of 4-aminocyclohexa-2,6-diene-1,2-diol (CID 89153872) is 4-aminocyclohexa-2,6-diene-1,2-diol.
What is the SMILES notation for 4-aminocyclohexa-2,6-diene-1,2-diol?
The canonical SMILES for 4-aminocyclohexa-2,6-diene-1,2-diol is NC1C=C(O)C(O)=CC1.
What is the InChIKey of 4-aminocyclohexa-2,6-diene-1,2-diol?
The InChIKey is RUYXFMTYTUDXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c7-4-1-2-5(8)6(9)3-4/h2-4,8-9H,1,7H2.
What are the key properties of 4-aminocyclohexa-2,6-diene-1,2-diol?
4-aminocyclohexa-2,6-diene-1,2-diol has a molecular weight of 127.14 g/mol, XLogP of 0.60, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminocyclohexa-2,6-diene-1,2-diol is sourced from PubChem (CID 89153872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).