5-oxa-4,11-diazatricyclo[6.2.1.02,6]undec-2(6)-en-3-one

C8H10N2O2 — CID 82414345

IUPAC5-oxa-4,11-diazatricyclo[6.2.1.02,6]undec-2(6)-en-3-one
SMILESO=c1[nH]oc2c1C1CCC(C2)N1
InChIInChI=1S/C8H10N2O2/c11-8-7-5-2-1-4(9-5)3-6(7)12-10-8/h4-5,9H,1-3H2,(H,10,11)
InChIKeySVDUDLLDQLKCQI-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.32
Rot. Bonds

About 5-oxa-4,11-diazatricyclo[6.2.1.02,6]undec-2(6)-en-3-one

5-oxa-4,11-diazatricyclo[6.2.1.02,6]undec-2(6)-en-3-one (PubChem CID 82414345) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-oxa-4,11-diazatricyclo[6.2.1.02,6]undec-2(6)-en-3-one.

Molecular Properties

Compound Name5-oxa-4,11-diazatricyclo[6.2.1.02,6]undec-2(6)-en-3-one
PubChem CID82414345
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5-oxa-4,11-diazatricyclo[6.2.1.02,6]undec-2(6)-en-3-one
SMILESO=c1[nH]oc2c1C1CCC(C2)N1
InChIInChI=1S/C8H10N2O2/c11-8-7-5-2-1-4(9-5)3-6(7)12-10-8/h4-5,9H,1-3H2,(H,10,11)
InChIKeySVDUDLLDQLKCQI-UHFFFAOYSA-N
XLogP0.32
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-3,8-diazabicyclo[3.2.1]octan-2-one
CID 45092766
(4S)-4-(ethylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-one
CID 101014374
(6S)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 134159257
(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 51000267
2-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 88987015
3-pyridin-4-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene
CID 102548848
(1S,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
CID 98053721
calcium;hydride;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one
CID 173118428
3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one
CID 165157963
9-phenyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
CID 13078350
(1R,8R)-4-(oxan-4-yl)-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2,5-diene
CID 99109969
3-methylidene-8-azabicyclo[3.2.1]octane
CID 58902776

Frequently Asked Questions

What is the IUPAC name of 5-oxa-4,11-diazatricyclo[6.2.1.02,6]undec-2(6)-en-3-one?
The IUPAC name of 5-oxa-4,11-diazatricyclo[6.2.1.02,6]undec-2(6)-en-3-one (CID 82414345) is 5-oxa-4,11-diazatricyclo[6.2.1.02,6]undec-2(6)-en-3-one.
What is the SMILES notation for 5-oxa-4,11-diazatricyclo[6.2.1.02,6]undec-2(6)-en-3-one?
The canonical SMILES for 5-oxa-4,11-diazatricyclo[6.2.1.02,6]undec-2(6)-en-3-one is O=c1[nH]oc2c1C1CCC(C2)N1.
What is the InChIKey of 5-oxa-4,11-diazatricyclo[6.2.1.02,6]undec-2(6)-en-3-one?
The InChIKey is SVDUDLLDQLKCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-8-7-5-2-1-4(9-5)3-6(7)12-10-8/h4-5,9H,1-3H2,(H,10,11).
What are the key properties of 5-oxa-4,11-diazatricyclo[6.2.1.02,6]undec-2(6)-en-3-one?
5-oxa-4,11-diazatricyclo[6.2.1.02,6]undec-2(6)-en-3-one has a molecular weight of 166.18 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxa-4,11-diazatricyclo[6.2.1.02,6]undec-2(6)-en-3-one is sourced from PubChem (CID 82414345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).