(2R,6S)-4,4-dimethyl-3,5-dioxa-8,10-diazatricyclo[6.3.0.02,6]undeca-1(11),9-diene

C9H12N2O2 — CID 10631217

IUPAC(2R,6S)-4,4-dimethyl-3,5-dioxa-8,10-diazatricyclo[6.3.0.02,6]undeca-1(11),9-diene
SMILESCC1(C)O[C@H]2Cn3cncc3[C@H]2O1
InChIInChI=1S/C9H12N2O2/c1-9(2)12-7-4-11-5-10-3-6(11)8(7)13-9/h3,5,7-8H,4H2,1-2H3/t7-,8+/m0/s1
InChIKeyIWGWIOARXDGTCI-JGVFFNPUSA-N
MW180.21 g/mol
LogP1.09
Rot. Bonds

About (2R,6S)-4,4-dimethyl-3,5-dioxa-8,10-diazatricyclo[6.3.0.02,6]undeca-1(11),9-diene

(2R,6S)-4,4-dimethyl-3,5-dioxa-8,10-diazatricyclo[6.3.0.02,6]undeca-1(11),9-diene (PubChem CID 10631217) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (2R,6S)-4,4-dimethyl-3,5-dioxa-8,10-diazatricyclo[6.3.0.02,6]undeca-1(11),9-diene.

Molecular Properties

Compound Name(2R,6S)-4,4-dimethyl-3,5-dioxa-8,10-diazatricyclo[6.3.0.02,6]undeca-1(11),9-diene
PubChem CID10631217
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(2R,6S)-4,4-dimethyl-3,5-dioxa-8,10-diazatricyclo[6.3.0.02,6]undeca-1(11),9-diene
SMILESCC1(C)O[C@H]2Cn3cncc3[C@H]2O1
InChIInChI=1S/C9H12N2O2/c1-9(2)12-7-4-11-5-10-3-6(11)8(7)13-9/h3,5,7-8H,4H2,1-2H3/t7-,8+/m0/s1
InChIKeyIWGWIOARXDGTCI-JGVFFNPUSA-N
XLogP1.09
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,6R)-4,4-dimethyl-3,5-dioxa-8,10-diazatricyclo[6.3.0.02,6]undeca-1(11),9-diene
CID 10607461
(2R,6R)-4,4-dimethyl-3,5-dioxa-8,10-diazatricyclo[6.3.0.02,6]undeca-1(11),9-diene
CID 100988306

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4,4-dimethyl-3,5-dioxa-8,10-diazatricyclo[6.3.0.02,6]undeca-1(11),9-diene?
The IUPAC name of (2R,6S)-4,4-dimethyl-3,5-dioxa-8,10-diazatricyclo[6.3.0.02,6]undeca-1(11),9-diene (CID 10631217) is (2R,6S)-4,4-dimethyl-3,5-dioxa-8,10-diazatricyclo[6.3.0.02,6]undeca-1(11),9-diene.
What is the SMILES notation for (2R,6S)-4,4-dimethyl-3,5-dioxa-8,10-diazatricyclo[6.3.0.02,6]undeca-1(11),9-diene?
The canonical SMILES for (2R,6S)-4,4-dimethyl-3,5-dioxa-8,10-diazatricyclo[6.3.0.02,6]undeca-1(11),9-diene is CC1(C)O[C@H]2Cn3cncc3[C@H]2O1.
What is the InChIKey of (2R,6S)-4,4-dimethyl-3,5-dioxa-8,10-diazatricyclo[6.3.0.02,6]undeca-1(11),9-diene?
The InChIKey is IWGWIOARXDGTCI-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-9(2)12-7-4-11-5-10-3-6(11)8(7)13-9/h3,5,7-8H,4H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (2R,6S)-4,4-dimethyl-3,5-dioxa-8,10-diazatricyclo[6.3.0.02,6]undeca-1(11),9-diene?
(2R,6S)-4,4-dimethyl-3,5-dioxa-8,10-diazatricyclo[6.3.0.02,6]undeca-1(11),9-diene has a molecular weight of 180.21 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4,4-dimethyl-3,5-dioxa-8,10-diazatricyclo[6.3.0.02,6]undeca-1(11),9-diene is sourced from PubChem (CID 10631217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).