5-(2-aminoethyl)cyclohexa-1,3-diene-1,3-diol

C8H13NO2 — CID 89093584

IUPAC5-(2-aminoethyl)cyclohexa-1,3-diene-1,3-diol
SMILESNCCC1C=C(O)C=C(O)C1
InChIInChI=1S/C8H13NO2/c9-2-1-6-3-7(10)5-8(11)4-6/h3,5-6,10-11H,1-2,4,9H2
InChIKeyYJHUCIDLHJJRTK-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.24
Rot. Bonds2

About 5-(2-aminoethyl)cyclohexa-1,3-diene-1,3-diol

5-(2-aminoethyl)cyclohexa-1,3-diene-1,3-diol (PubChem CID 89093584) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-(2-aminoethyl)cyclohexa-1,3-diene-1,3-diol.

Molecular Properties

Compound Name5-(2-aminoethyl)cyclohexa-1,3-diene-1,3-diol
PubChem CID89093584
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name5-(2-aminoethyl)cyclohexa-1,3-diene-1,3-diol
SMILESNCCC1C=C(O)C=C(O)C1
InChIInChI=1S/C8H13NO2/c9-2-1-6-3-7(10)5-8(11)4-6/h3,5-6,10-11H,1-2,4,9H2
InChIKeyYJHUCIDLHJJRTK-UHFFFAOYSA-N
XLogP1.24
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)cyclohexa-1,3-diene-1,3-diol?
The IUPAC name of 5-(2-aminoethyl)cyclohexa-1,3-diene-1,3-diol (CID 89093584) is 5-(2-aminoethyl)cyclohexa-1,3-diene-1,3-diol.
What is the SMILES notation for 5-(2-aminoethyl)cyclohexa-1,3-diene-1,3-diol?
The canonical SMILES for 5-(2-aminoethyl)cyclohexa-1,3-diene-1,3-diol is NCCC1C=C(O)C=C(O)C1.
What is the InChIKey of 5-(2-aminoethyl)cyclohexa-1,3-diene-1,3-diol?
The InChIKey is YJHUCIDLHJJRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c9-2-1-6-3-7(10)5-8(11)4-6/h3,5-6,10-11H,1-2,4,9H2.
What are the key properties of 5-(2-aminoethyl)cyclohexa-1,3-diene-1,3-diol?
5-(2-aminoethyl)cyclohexa-1,3-diene-1,3-diol has a molecular weight of 155.20 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)cyclohexa-1,3-diene-1,3-diol is sourced from PubChem (CID 89093584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).