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

C16H25NO — CID 142316499

IUPACethane;6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene
SMILESC=CC1=CC(CC)NC2=C1CC1CCC2O1.CC
InChIInChI=1S/C14H19NO.C2H6/c1-3-9-7-10(4-2)15-14-12(9)8-11-5-6-13(14)16-11;1-2/h3,7,10-11,13,15H,1,4-6,8H2,2H3;1-2H3
InChIKeyCYCFYPFMBPZKPO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.71
Rot. Bonds2

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

ethane;6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene (PubChem CID 142316499) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is ethane;6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene.

Molecular Properties

Compound Nameethane;6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene
PubChem CID142316499
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Nameethane;6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene
SMILESC=CC1=CC(CC)NC2=C1CC1CCC2O1.CC
InChIInChI=1S/C14H19NO.C2H6/c1-3-9-7-10(4-2)15-14-12(9)8-11-5-6-13(14)16-11;1-2/h3,7,10-11,13,15H,1,4-6,8H2,2H3;1-2H3
InChIKeyCYCFYPFMBPZKPO-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 141822648
CID 141822648
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;ethane
CID 144830251
2-(5-Ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)pyrrolidine
CID 145138570
CID 141822649
CID 141822649
6-Ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene
CID 142316500
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 ethane;6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene?
The IUPAC name of ethane;6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene (CID 142316499) is ethane;6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene.
What is the SMILES notation for ethane;6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene?
The canonical SMILES for ethane;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.CC.
What is the InChIKey of ethane;6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene?
The InChIKey is CYCFYPFMBPZKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C2H6/c1-3-9-7-10(4-2)15-14-12(9)8-11-5-6-13(14)16-11;1-2/h3,7,10-11,13,15H,1,4-6,8H2,2H3;1-2H3.
What are the key properties of ethane;6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene?
ethane;6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene has a molecular weight of 247.38 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene is sourced from PubChem (CID 142316499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).