6-aminocyclohexa-1,5-dien-1-ol

C6H9NO — CID 23116172

IUPAC6-aminocyclohexa-1,5-dien-1-ol
SMILESNC1=CCCC=C1O
InChIInChI=1S/C6H9NO/c7-5-3-1-2-4-6(5)8/h3-4,8H,1-2,7H2
InChIKeyUEKJZWYUGFIBKD-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.06
Rot. Bonds

About 6-aminocyclohexa-1,5-dien-1-ol

6-aminocyclohexa-1,5-dien-1-ol (PubChem CID 23116172) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 6-aminocyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-aminocyclohexa-1,5-dien-1-ol
PubChem CID23116172
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name6-aminocyclohexa-1,5-dien-1-ol
SMILESNC1=CCCC=C1O
InChIInChI=1S/C6H9NO/c7-5-3-1-2-4-6(5)8/h3-4,8H,1-2,7H2
InChIKeyUEKJZWYUGFIBKD-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-aminocyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-aminocyclohexa-1,5-dien-1-ol (CID 23116172) is 6-aminocyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-aminocyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-aminocyclohexa-1,5-dien-1-ol is NC1=CCCC=C1O.
What is the InChIKey of 6-aminocyclohexa-1,5-dien-1-ol?
The InChIKey is UEKJZWYUGFIBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c7-5-3-1-2-4-6(5)8/h3-4,8H,1-2,7H2.
What are the key properties of 6-aminocyclohexa-1,5-dien-1-ol?
6-aminocyclohexa-1,5-dien-1-ol has a molecular weight of 111.14 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminocyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 23116172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).