8,9-dimethyl-4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol

C16H23NO4 — CID 91350851

IUPAC8,9-dimethyl-4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
SMILESCC1C2CC(c3c2c(O)n(OC2CCCCO2)c3O)C1C
InChIInChI=1S/C16H23NO4/c1-8-9(2)11-7-10(8)13-14(11)16(19)17(15(13)18)21-12-5-3-4-6-20-12/h8-12,18-19H,3-7H2,1-2H3
InChIKeyAVIJWBDDXMQOAY-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.71
Rot. Bonds2

About 8,9-dimethyl-4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol

8,9-dimethyl-4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol (PubChem CID 91350851) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 8,9-dimethyl-4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol.

Molecular Properties

Compound Name8,9-dimethyl-4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
PubChem CID91350851
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name8,9-dimethyl-4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
SMILESCC1C2CC(c3c2c(O)n(OC2CCCCO2)c3O)C1C
InChIInChI=1S/C16H23NO4/c1-8-9(2)11-7-10(8)13-14(11)16(19)17(15(13)18)21-12-5-3-4-6-20-12/h8-12,18-19H,3-7H2,1-2H3
InChIKeyAVIJWBDDXMQOAY-UHFFFAOYSA-N
XLogP2.71
TPSA63.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8,9-dimethyl-4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol with MolForge

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Related Compounds

(3,5-Dihydroxy-8,9-dimethyl-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl) 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl sulfite
CID 53857034
(9,11-Diethyl-3,5-dihydroxy-4-azatetracyclo[5.5.1.02,6.08,12]trideca-2,5-dien-4-yl) 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl sulfite
CID 53909372
4-Hydroxy-1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 90980669
4-Hydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
CID 54184071
(9,11-Diethyl-3,5-dihydroxy-4-azatetracyclo[5.5.1.02,6.08,12]trideca-2,5-dien-4-yl) methanesulfonate
CID 54503537
Cyclohexyl (10,12-dihydroxy-4,5-dimethyl-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-9,12-dien-11-yl) sulfite
CID 90832383
1-Butoxyethyl 6-(3,5-dihydroxy-11-methyl-4-azatetracyclo[5.3.1.02,6.08,10]undeca-2,5-dien-4-yl)hexanoate
CID 90834173
Tert-butyl (3,5-dihydroxy-8,10-dimethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl) carbonate
CID 91015646
(3,5-Dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)oxy-propoxymethanethione
CID 91035227
(3,5-Dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)oxy-ethoxymethanethione
CID 91180433
4-(Oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
CID 91228903
4-Methoxy-8-propyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 91296668

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyl-4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The IUPAC name of 8,9-dimethyl-4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol (CID 91350851) is 8,9-dimethyl-4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol.
What is the SMILES notation for 8,9-dimethyl-4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The canonical SMILES for 8,9-dimethyl-4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol is CC1C2CC(c3c2c(O)n(OC2CCCCO2)c3O)C1C.
What is the InChIKey of 8,9-dimethyl-4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The InChIKey is AVIJWBDDXMQOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-8-9(2)11-7-10(8)13-14(11)16(19)17(15(13)18)21-12-5-3-4-6-20-12/h8-12,18-19H,3-7H2,1-2H3.
What are the key properties of 8,9-dimethyl-4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
8,9-dimethyl-4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol has a molecular weight of 293.36 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyl-4-(oxan-2-yloxy)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol is sourced from PubChem (CID 91350851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).