(3R)-3-aminocyclohexa-1,5-dien-1-ol

C6H9NO — CID 89469321

IUPAC(3R)-3-aminocyclohexa-1,5-dien-1-ol
SMILESN[C@H]1C=C(O)C=CC1
InChIInChI=1S/C6H9NO/c7-5-2-1-3-6(8)4-5/h1,3-5,8H,2,7H2/t5-/m1/s1
InChIKeyXGHCEMGPEICTKV-RXMQYKEDSA-N
MW111.14 g/mol
LogP0.72
Rot. Bonds

About (3R)-3-aminocyclohexa-1,5-dien-1-ol

(3R)-3-aminocyclohexa-1,5-dien-1-ol (PubChem CID 89469321) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (3R)-3-aminocyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name(3R)-3-aminocyclohexa-1,5-dien-1-ol
PubChem CID89469321
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(3R)-3-aminocyclohexa-1,5-dien-1-ol
SMILESN[C@H]1C=C(O)C=CC1
InChIInChI=1S/C6H9NO/c7-5-2-1-3-6(8)4-5/h1,3-5,8H,2,7H2/t5-/m1/s1
InChIKeyXGHCEMGPEICTKV-RXMQYKEDSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-aminocyclohexa-1,5-dien-1-ol?
The IUPAC name of (3R)-3-aminocyclohexa-1,5-dien-1-ol (CID 89469321) is (3R)-3-aminocyclohexa-1,5-dien-1-ol.
What is the SMILES notation for (3R)-3-aminocyclohexa-1,5-dien-1-ol?
The canonical SMILES for (3R)-3-aminocyclohexa-1,5-dien-1-ol is N[C@H]1C=C(O)C=CC1.
What is the InChIKey of (3R)-3-aminocyclohexa-1,5-dien-1-ol?
The InChIKey is XGHCEMGPEICTKV-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H9NO/c7-5-2-1-3-6(8)4-5/h1,3-5,8H,2,7H2/t5-/m1/s1.
What are the key properties of (3R)-3-aminocyclohexa-1,5-dien-1-ol?
(3R)-3-aminocyclohexa-1,5-dien-1-ol has a molecular weight of 111.14 g/mol, XLogP of 0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-aminocyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 89469321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).