3-(2-hydroxyethylamino)cyclohexa-1,3-dien-1-ol

C8H13NO2 — CID 173254690

IUPAC3-(2-hydroxyethylamino)cyclohexa-1,3-dien-1-ol
SMILESOCCNC1=CCCC(O)=C1
InChIInChI=1S/C8H13NO2/c10-5-4-9-7-2-1-3-8(11)6-7/h2,6,9-11H,1,3-5H2
InChIKeyLLOSZLDVYHTAFR-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.69
Rot. Bonds3

About 3-(2-hydroxyethylamino)cyclohexa-1,3-dien-1-ol

3-(2-hydroxyethylamino)cyclohexa-1,3-dien-1-ol (PubChem CID 173254690) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-(2-hydroxyethylamino)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3-(2-hydroxyethylamino)cyclohexa-1,3-dien-1-ol
PubChem CID173254690
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-(2-hydroxyethylamino)cyclohexa-1,3-dien-1-ol
SMILESOCCNC1=CCCC(O)=C1
InChIInChI=1S/C8H13NO2/c10-5-4-9-7-2-1-3-8(11)6-7/h2,6,9-11H,1,3-5H2
InChIKeyLLOSZLDVYHTAFR-UHFFFAOYSA-N
XLogP0.69
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylamino)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 3-(2-hydroxyethylamino)cyclohexa-1,3-dien-1-ol (CID 173254690) is 3-(2-hydroxyethylamino)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3-(2-hydroxyethylamino)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3-(2-hydroxyethylamino)cyclohexa-1,3-dien-1-ol is OCCNC1=CCCC(O)=C1.
What is the InChIKey of 3-(2-hydroxyethylamino)cyclohexa-1,3-dien-1-ol?
The InChIKey is LLOSZLDVYHTAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-5-4-9-7-2-1-3-8(11)6-7/h2,6,9-11H,1,3-5H2.
What are the key properties of 3-(2-hydroxyethylamino)cyclohexa-1,3-dien-1-ol?
3-(2-hydroxyethylamino)cyclohexa-1,3-dien-1-ol has a molecular weight of 155.20 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylamino)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 173254690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).