5,10-dimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene

C12H17NO — CID 142260943

IUPAC5,10-dimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
SMILESCC1C=CC2=C(C=C1)OCCN(C)C2
InChIInChI=1S/C12H17NO/c1-10-3-5-11-9-13(2)7-8-14-12(11)6-4-10/h3-6,10H,7-9H2,1-2H3
InChIKeyPCVPCIOMBRGZSD-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.96
Rot. Bonds

About 5,10-dimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene

5,10-dimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene (PubChem CID 142260943) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5,10-dimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene.

Molecular Properties

Compound Name5,10-dimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
PubChem CID142260943
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5,10-dimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
SMILESCC1C=CC2=C(C=C1)OCCN(C)C2
InChIInChI=1S/C12H17NO/c1-10-3-5-11-9-13(2)7-8-14-12(11)6-4-10/h3-6,10H,7-9H2,1-2H3
InChIKeyPCVPCIOMBRGZSD-UHFFFAOYSA-N
XLogP1.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-Methyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
CID 123414166
N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine
CID 129059990
N,N-dimethyl-2-[(5R)-5-methylcyclohepta-1,3,6-trien-1-yl]oxyethanamine
CID 134534485
4-methyl-7-prop-1-en-2-yl-3,5-dihydro-2H-1,4-oxazepine
CID 138571735
10,10-Dimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
CID 141921754
5,10,10-Trimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
CID 141922016
N-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine
CID 142097266
4-[2-(4-Methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine
CID 142097272
6,7-bis(ethenyl)-4-ethyl-3,5-dihydro-2H-1,4-oxazepine
CID 142483680
N,N-dimethyl-2-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-3-yl]oxyethanamine
CID 142506472
6,7-bis(ethenyl)-4-methyl-3,5-dihydro-2H-1,4-oxazepine
CID 142511832
2-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)oxy-N,N-dimethylethanamine;methane
CID 142981286

Frequently Asked Questions

What is the IUPAC name of 5,10-dimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene?
The IUPAC name of 5,10-dimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene (CID 142260943) is 5,10-dimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene.
What is the SMILES notation for 5,10-dimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene?
The canonical SMILES for 5,10-dimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene is CC1C=CC2=C(C=C1)OCCN(C)C2.
What is the InChIKey of 5,10-dimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene?
The InChIKey is PCVPCIOMBRGZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-3-5-11-9-13(2)7-8-14-12(11)6-4-10/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 5,10-dimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene?
5,10-dimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene has a molecular weight of 191.27 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene is sourced from PubChem (CID 142260943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).