(1R,6R)-6-aminocyclohexa-2,4-dien-1-ol

C6H9NO — CID 55288609

IUPAC(1R,6R)-6-aminocyclohexa-2,4-dien-1-ol
SMILESN[C@@H]1C=CC=C[C@H]1O
InChIInChI=1S/C6H9NO/c7-5-3-1-2-4-6(5)8/h1-6,8H,7H2/t5-,6-/m1/s1
InChIKeyKPBPELYSMUXHJS-PHDIDXHHSA-N
MW111.14 g/mol
LogP-0.20
Rot. Bonds

About (1R,6R)-6-aminocyclohexa-2,4-dien-1-ol

(1R,6R)-6-aminocyclohexa-2,4-dien-1-ol (PubChem CID 55288609) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (1R,6R)-6-aminocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(1R,6R)-6-aminocyclohexa-2,4-dien-1-ol
PubChem CID55288609
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(1R,6R)-6-aminocyclohexa-2,4-dien-1-ol
SMILESN[C@@H]1C=CC=C[C@H]1O
InChIInChI=1S/C6H9NO/c7-5-3-1-2-4-6(5)8/h1-6,8H,7H2/t5-,6-/m1/s1
InChIKeyKPBPELYSMUXHJS-PHDIDXHHSA-N
XLogP-0.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,6R)-6-aminocyclohexa-2,4-dien-1-ol?
The IUPAC name of (1R,6R)-6-aminocyclohexa-2,4-dien-1-ol (CID 55288609) is (1R,6R)-6-aminocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for (1R,6R)-6-aminocyclohexa-2,4-dien-1-ol?
The canonical SMILES for (1R,6R)-6-aminocyclohexa-2,4-dien-1-ol is N[C@@H]1C=CC=C[C@H]1O.
What is the InChIKey of (1R,6R)-6-aminocyclohexa-2,4-dien-1-ol?
The InChIKey is KPBPELYSMUXHJS-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H9NO/c7-5-3-1-2-4-6(5)8/h1-6,8H,7H2/t5-,6-/m1/s1.
What are the key properties of (1R,6R)-6-aminocyclohexa-2,4-dien-1-ol?
(1R,6R)-6-aminocyclohexa-2,4-dien-1-ol has a molecular weight of 111.14 g/mol, XLogP of -0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6-aminocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 55288609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).