3-decyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol

C15H25NO2 — CID 54240222

IUPAC3-decyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol
SMILESCCCCCCCCCCn1c(O)c2c(c1O)C2
InChIInChI=1S/C15H25NO2/c1-2-3-4-5-6-7-8-9-10-16-14(17)12-11-13(12)15(16)18/h17-18H,2-11H2,1H3
InChIKeyQPMJPAVEFNERGT-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.94
Rot. Bonds9

About 3-decyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol

3-decyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol (PubChem CID 54240222) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-decyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol.

Molecular Properties

Compound Name3-decyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol
PubChem CID54240222
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-decyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol
SMILESCCCCCCCCCCn1c(O)c2c(c1O)C2
InChIInChI=1S/C15H25NO2/c1-2-3-4-5-6-7-8-9-10-16-14(17)12-11-13(12)15(16)18/h17-18H,2-11H2,1H3
InChIKeyQPMJPAVEFNERGT-UHFFFAOYSA-N
XLogP3.94
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-decyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(7,7-Difluoroheptyl)-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol
CID 54434876
3-(6-Fluorohexyl)-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol
CID 54504455
3,6-Dimethyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol
CID 53702734
3-Butyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol
CID 53941778
3-Octan-2-yl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol
CID 53991419
3-(2-Cyclohexylethyl)-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol
CID 54004529
3-Octyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol
CID 54122678
7-(2,4-Dihydroxy-3-azabicyclo[3.1.0]hexa-1,4-dien-3-yl)heptanal
CID 54126529
3-[6-[Tert-butyl(dimethyl)silyl]oxyhexyl]-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol
CID 54138019
3-Heptyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol
CID 54181825
3-Hept-6-enyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol
CID 54207313
3-[2-(Cyclohexen-1-yl)ethyl]-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol
CID 54209033

Frequently Asked Questions

What is the IUPAC name of 3-decyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol?
The IUPAC name of 3-decyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol (CID 54240222) is 3-decyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol.
What is the SMILES notation for 3-decyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol?
The canonical SMILES for 3-decyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol is CCCCCCCCCCn1c(O)c2c(c1O)C2.
What is the InChIKey of 3-decyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol?
The InChIKey is QPMJPAVEFNERGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-3-4-5-6-7-8-9-10-16-14(17)12-11-13(12)15(16)18/h17-18H,2-11H2,1H3.
What are the key properties of 3-decyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol?
3-decyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol has a molecular weight of 251.37 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol is sourced from PubChem (CID 54240222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).