3-oxa-7,8-diazatricyclo[4.2.1.02,4]nonane-5,9-diol

C6H10N2O3 — CID 130150362

IUPAC3-oxa-7,8-diazatricyclo[4.2.1.02,4]nonane-5,9-diol
SMILESOC1C2NNC1C1OC1C2O
InChIInChI=1S/C6H10N2O3/c9-3-1-4(10)6-5(11-6)2(3)8-7-1/h1-10H
InChIKeyWDRWISSDJPHLMN-UHFFFAOYSA-N
MW158.16 g/mol
LogP-2.67
Rot. Bonds

About 3-oxa-7,8-diazatricyclo[4.2.1.02,4]nonane-5,9-diol

3-oxa-7,8-diazatricyclo[4.2.1.02,4]nonane-5,9-diol (PubChem CID 130150362) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 3-oxa-7,8-diazatricyclo[4.2.1.02,4]nonane-5,9-diol.

Molecular Properties

Compound Name3-oxa-7,8-diazatricyclo[4.2.1.02,4]nonane-5,9-diol
PubChem CID130150362
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name3-oxa-7,8-diazatricyclo[4.2.1.02,4]nonane-5,9-diol
SMILESOC1C2NNC1C1OC1C2O
InChIInChI=1S/C6H10N2O3/c9-3-1-4(10)6-5(11-6)2(3)8-7-1/h1-10H
InChIKeyWDRWISSDJPHLMN-UHFFFAOYSA-N
XLogP-2.67
TPSA77.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-2.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(3S,7S)-2,6-dioxatricyclo[3.3.0.03,7]octane-4,8-diol
CID 140835106
(1R,2R,4S,5S,7S,9R)-3,6,10-trioxatetracyclo[7.1.0.02,4.05,7]decan-8-ol
CID 12528736
(1R,2S,3R,4S,5R,6S)-5-amino-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
CID 24763422
(1R,3S,4R,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol;(1S,4S,5S,7R,8S,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol
CID 159595589
(1R,3S,4S,5S,7S,8R,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol
CID 125484587
(1S,2R,4R,5R,6R)-2,4-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 118517804
(1S,2S,3S,5R,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol
CID 10654283
(1aR,2S,3S,3aS,6aR,6bS)-1a,2,3,3a,4,6,6a,6b-octahydrooxireno[2,3-g][2]benzofuran-2,3-diol
CID 25186851
(1S,2S,3R,4S,5R,6S)-5-methoxy-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
CID 130831191
ethane;2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-4,5-diol
CID 143692870
(1R,2R,4S,5R,6R)-3,8,9-trioxatricyclo[4.2.1.02,4]nonan-5-ol
CID 13145602
(1R,2R,4R,5R,6S)-3,8,9-trioxatricyclo[4.2.1.02,4]nonan-5-ol
CID 98289950

Frequently Asked Questions

What is the IUPAC name of 3-oxa-7,8-diazatricyclo[4.2.1.02,4]nonane-5,9-diol?
The IUPAC name of 3-oxa-7,8-diazatricyclo[4.2.1.02,4]nonane-5,9-diol (CID 130150362) is 3-oxa-7,8-diazatricyclo[4.2.1.02,4]nonane-5,9-diol.
What is the SMILES notation for 3-oxa-7,8-diazatricyclo[4.2.1.02,4]nonane-5,9-diol?
The canonical SMILES for 3-oxa-7,8-diazatricyclo[4.2.1.02,4]nonane-5,9-diol is OC1C2NNC1C1OC1C2O.
What is the InChIKey of 3-oxa-7,8-diazatricyclo[4.2.1.02,4]nonane-5,9-diol?
The InChIKey is WDRWISSDJPHLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c9-3-1-4(10)6-5(11-6)2(3)8-7-1/h1-10H.
What are the key properties of 3-oxa-7,8-diazatricyclo[4.2.1.02,4]nonane-5,9-diol?
3-oxa-7,8-diazatricyclo[4.2.1.02,4]nonane-5,9-diol has a molecular weight of 158.16 g/mol, XLogP of -2.67, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-7,8-diazatricyclo[4.2.1.02,4]nonane-5,9-diol is sourced from PubChem (CID 130150362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).