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

C6H9NO — CID 150846324

IUPAC(1S,6S)-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-/m0/s1
InChIKeyKPBPELYSMUXHJS-WDSKDSINSA-N
MW111.14 g/mol
LogP-0.20
Rot. Bonds

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

(1S,6S)-6-aminocyclohexa-2,4-dien-1-ol (PubChem CID 150846324) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (1S,6S)-6-aminocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(1S,6S)-6-aminocyclohexa-2,4-dien-1-ol
PubChem CID150846324
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(1S,6S)-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-/m0/s1
InChIKeyKPBPELYSMUXHJS-WDSKDSINSA-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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Related Compounds

[(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenyl]azanium
CID 129320392
1-Catecholamine
CID 69350181
1-Aminocyclohexa-3,5-diene-1,2-diol
CID 90658496
(2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol
CID 129320393
1,2-Diaminophenol
CID 60160778
3h-Catecholamine
CID 129632823
6-Amino-6-methylcyclohexa-2,4-dien-1-ol
CID 19762736
6-Amino-5,6-difluorocyclohexa-2,4-dien-1-ol
CID 69044063
6-Amino-6-fluorocyclohexa-2,4-dien-1-ol
CID 69333479
6-Amino-1,3-difluorocyclohexa-2,4-dien-1-ol
CID 152001294
6-Amino-1-fluorocyclohexa-2,4-dien-1-ol
CID 153883490
2-Amino-dihydroresorcine
CID 129653229

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-6-aminocyclohexa-2,4-dien-1-ol?
The IUPAC name of (1S,6S)-6-aminocyclohexa-2,4-dien-1-ol (CID 150846324) is (1S,6S)-6-aminocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for (1S,6S)-6-aminocyclohexa-2,4-dien-1-ol?
The canonical SMILES for (1S,6S)-6-aminocyclohexa-2,4-dien-1-ol is N[C@H]1C=CC=C[C@@H]1O.
What is the InChIKey of (1S,6S)-6-aminocyclohexa-2,4-dien-1-ol?
The InChIKey is KPBPELYSMUXHJS-WDSKDSINSA-N. The full InChI is InChI=1S/C6H9NO/c7-5-3-1-2-4-6(5)8/h1-6,8H,7H2/t5-,6-/m0/s1.
What are the key properties of (1S,6S)-6-aminocyclohexa-2,4-dien-1-ol?
(1S,6S)-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 (1S,6S)-6-aminocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 150846324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).