4-(diethylamino)cyclohexa-1,5-diene-1,4-diol

C10H17NO2 — CID 70194136

IUPAC4-(diethylamino)cyclohexa-1,5-diene-1,4-diol
SMILESCCN(CC)C1(O)C=CC(O)=CC1
InChIInChI=1S/C10H17NO2/c1-3-11(4-2)10(13)7-5-9(12)6-8-10/h5-7,12-13H,3-4,8H2,1-2H3
InChIKeyWYCXPBUYRJPVNT-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.42
Rot. Bonds3

About 4-(diethylamino)cyclohexa-1,5-diene-1,4-diol

4-(diethylamino)cyclohexa-1,5-diene-1,4-diol (PubChem CID 70194136) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-(diethylamino)cyclohexa-1,5-diene-1,4-diol.

Molecular Properties

Compound Name4-(diethylamino)cyclohexa-1,5-diene-1,4-diol
PubChem CID70194136
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-(diethylamino)cyclohexa-1,5-diene-1,4-diol
SMILESCCN(CC)C1(O)C=CC(O)=CC1
InChIInChI=1S/C10H17NO2/c1-3-11(4-2)10(13)7-5-9(12)6-8-10/h5-7,12-13H,3-4,8H2,1-2H3
InChIKeyWYCXPBUYRJPVNT-UHFFFAOYSA-N
XLogP1.42
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)cyclohexa-1,5-diene-1,4-diol?
The IUPAC name of 4-(diethylamino)cyclohexa-1,5-diene-1,4-diol (CID 70194136) is 4-(diethylamino)cyclohexa-1,5-diene-1,4-diol.
What is the SMILES notation for 4-(diethylamino)cyclohexa-1,5-diene-1,4-diol?
The canonical SMILES for 4-(diethylamino)cyclohexa-1,5-diene-1,4-diol is CCN(CC)C1(O)C=CC(O)=CC1.
What is the InChIKey of 4-(diethylamino)cyclohexa-1,5-diene-1,4-diol?
The InChIKey is WYCXPBUYRJPVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-11(4-2)10(13)7-5-9(12)6-8-10/h5-7,12-13H,3-4,8H2,1-2H3.
What are the key properties of 4-(diethylamino)cyclohexa-1,5-diene-1,4-diol?
4-(diethylamino)cyclohexa-1,5-diene-1,4-diol has a molecular weight of 183.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)cyclohexa-1,5-diene-1,4-diol is sourced from PubChem (CID 70194136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).