6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene

C14H19NO — CID 142316500

IUPAC6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene
SMILESC=CC1=CC(CC)NC2=C1CC1CCC2O1
InChIInChI=1S/C14H19NO/c1-3-9-7-10(4-2)15-14-12(9)8-11-5-6-13(14)16-11/h3,7,10-11,13,15H,1,4-6,8H2,2H3
InChIKeyMDDNXBYAFKUBOR-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.69
Rot. Bonds2

About 6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene

6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene (PubChem CID 142316500) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene.

Molecular Properties

Compound Name6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene
PubChem CID142316500
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene
SMILESC=CC1=CC(CC)NC2=C1CC1CCC2O1
InChIInChI=1S/C14H19NO/c1-3-9-7-10(4-2)15-14-12(9)8-11-5-6-13(14)16-11/h3,7,10-11,13,15H,1,4-6,8H2,2H3
InChIKeyMDDNXBYAFKUBOR-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethane;6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene
CID 142316499
ethane;8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine
CID 143698492
2-[Cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine
CID 144549752
2-(5-Ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)pyrrolidine
CID 145138570
8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine
CID 143698493

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene?
The IUPAC name of 6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene (CID 142316500) is 6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene.
What is the SMILES notation for 6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene?
The canonical SMILES for 6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene is C=CC1=CC(CC)NC2=C1CC1CCC2O1.
What is the InChIKey of 6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene?
The InChIKey is MDDNXBYAFKUBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-9-7-10(4-2)15-14-12(9)8-11-5-6-13(14)16-11/h3,7,10-11,13,15H,1,4-6,8H2,2H3.
What are the key properties of 6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene?
6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene has a molecular weight of 217.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene is sourced from PubChem (CID 142316500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).