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

C6H9NO — CID 154528666

IUPAC(5S)-5-aminocyclohexa-1,3-dien-1-ol
SMILESN[C@@H]1C=CC=C(O)C1
InChIInChI=1S/C6H9NO/c7-5-2-1-3-6(8)4-5/h1-3,5,8H,4,7H2/t5-/m1/s1
InChIKeyODMRGXLPNVFVQX-RXMQYKEDSA-N
MW111.14 g/mol
LogP0.72
Rot. Bonds

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

(5S)-5-aminocyclohexa-1,3-dien-1-ol (PubChem CID 154528666) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (5S)-5-aminocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name(5S)-5-aminocyclohexa-1,3-dien-1-ol
PubChem CID154528666
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(5S)-5-aminocyclohexa-1,3-dien-1-ol
SMILESN[C@@H]1C=CC=C(O)C1
InChIInChI=1S/C6H9NO/c7-5-2-1-3-6(8)4-5/h1-3,5,8H,4,7H2/t5-/m1/s1
InChIKeyODMRGXLPNVFVQX-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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Related Compounds

5-Amino-5-fluorocyclohexa-1,3-dien-1-ol
CID 153886409
6-Amino-2-fluorocyclohexa-1,3-dien-1-ol
CID 176119600
2-Amino-3-Hydroxytoluidin
CID 129628064
6-Aminocyclohexa-1,3-dien-1-ol
CID 20028871
5-Aminocyclohexa-1,3-dien-1-ol
CID 23328709
(4R)-4-aminocyclohexa-1,5-dien-1-ol
CID 67126355
4-Aminocyclohexa-1,5-dien-1-ol
CID 68200165
(3R)-3-aminocyclohexa-1,5-dien-1-ol
CID 89469321
5-Amino-3-bromocyclohexa-1,3-dien-1-ol
CID 90451179
5-Hydrazinylcyclohexa-1,3-dien-1-ol
CID 122662756
5-Aminocyclohexa-1,3-diene-1,3-diol
CID 126489079
5-Amino-2-chlorocyclohexa-1,3-dien-1-ol
CID 132192134

Frequently Asked Questions

What is the IUPAC name of (5S)-5-aminocyclohexa-1,3-dien-1-ol?
The IUPAC name of (5S)-5-aminocyclohexa-1,3-dien-1-ol (CID 154528666) is (5S)-5-aminocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for (5S)-5-aminocyclohexa-1,3-dien-1-ol?
The canonical SMILES for (5S)-5-aminocyclohexa-1,3-dien-1-ol is N[C@@H]1C=CC=C(O)C1.
What is the InChIKey of (5S)-5-aminocyclohexa-1,3-dien-1-ol?
The InChIKey is ODMRGXLPNVFVQX-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H9NO/c7-5-2-1-3-6(8)4-5/h1-3,5,8H,4,7H2/t5-/m1/s1.
What are the key properties of (5S)-5-aminocyclohexa-1,3-dien-1-ol?
(5S)-5-aminocyclohexa-1,3-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 (5S)-5-aminocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 154528666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).