(10S)-7-ethyl-6-methyl-4-oxa-8,13-diazatricyclo[8.2.1.02,8]tridec-6-ene

C13H22N2O — CID 176926827

IUPAC(10S)-7-ethyl-6-methyl-4-oxa-8,13-diazatricyclo[8.2.1.02,8]tridec-6-ene
SMILESCCC1=C(C)COCC2C3CC[C@@H](CN12)N3
InChIInChI=1S/C13H22N2O/c1-3-12-9(2)7-16-8-13-11-5-4-10(14-11)6-15(12)13/h10-11,13-14H,3-8H2,1-2H3/t10-,11?,13?/m0/s1
InChIKeyJYBVNOSCHZAKKY-ZBOXLXRLSA-N
MW222.33 g/mol
LogP1.51
Rot. Bonds1

About (10S)-7-ethyl-6-methyl-4-oxa-8,13-diazatricyclo[8.2.1.02,8]tridec-6-ene

(10S)-7-ethyl-6-methyl-4-oxa-8,13-diazatricyclo[8.2.1.02,8]tridec-6-ene (PubChem CID 176926827) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (10S)-7-ethyl-6-methyl-4-oxa-8,13-diazatricyclo[8.2.1.02,8]tridec-6-ene.

Molecular Properties

Compound Name(10S)-7-ethyl-6-methyl-4-oxa-8,13-diazatricyclo[8.2.1.02,8]tridec-6-ene
PubChem CID176926827
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(10S)-7-ethyl-6-methyl-4-oxa-8,13-diazatricyclo[8.2.1.02,8]tridec-6-ene
SMILESCCC1=C(C)COCC2C3CC[C@@H](CN12)N3
InChIInChI=1S/C13H22N2O/c1-3-12-9(2)7-16-8-13-11-5-4-10(14-11)6-15(12)13/h10-11,13-14H,3-8H2,1-2H3/t10-,11?,13?/m0/s1
InChIKeyJYBVNOSCHZAKKY-ZBOXLXRLSA-N
XLogP1.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (10S)-7-ethyl-6-methyl-4-oxa-8,13-diazatricyclo[8.2.1.02,8]tridec-6-ene with MolForge

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Related Compounds

ethane;(1R,14S)-7-methyl-9-propan-2-yl-4-oxa-8,10,12,17-tetrazatetracyclo[12.2.1.02,12.06,11]heptadeca-6,8,10-trien-5-one;molecular hydrogen
CID 176926876
(13S)-6,8-diethyl-4,7,9,11,16-pentazatetracyclo[11.2.1.02,11.05,10]hexadeca-5,7,9-trien-3-one
CID 176926707
(13S)-6,8-diethyl-4,7,9,11,16-pentazatetracyclo[11.2.1.02,11.05,10]hexadeca-5,7,9-trien-3-one;ethane
CID 176926706
(4R,7S,8R,10R)-13-chloro-17-ethylsulfanyl-14-fluoro-2,12,16,18,20-pentazapentacyclo[9.7.1.14,7.02,8.015,19]icosa-1(18),11,13,15(19),16-pentaen-10-ol
CID 170376606
4-methyl-4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-triene
CID 175986880
(4S,7R)-14,18-ditert-butyl-15-fluoro-11-oxa-2,13,17,19,21-pentazapentacyclo[10.7.1.14,7.02,8.016,20]henicosa-1(19),12,14,16(20),17-pentaene
CID 176778545
5-ethyl-4-[(7S,8R)-14-fluoro-17-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-10-oxa-2,16,18,20-tetrazapentacyclo[9.7.1.14,7.02,8.015,19]icosa-1(18),11(19),12,14,16-pentaen-13-yl]naphthalen-2-ol
CID 167275235
6-[12,14-difluoro-17-[[(2R,8S)-2-fluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclobutane]-8-yl]methoxy]-10-oxa-2,16,18,20-tetrazapentacyclo[9.7.1.14,7.02,8.015,19]icosa-1(18),11,13,15(19),16-pentaen-13-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 176790725
4-[(8S)-12,14-difluoro-17-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-10-oxa-2,16,18,20-tetrazapentacyclo[9.7.1.14,7.02,8.015,19]icosa-1(18),11,13,15(19),16-pentaen-13-yl]-5-ethylnaphthalen-2-ol
CID 177373137
4-[(8R)-12,14-difluoro-17-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-10-oxa-2,16,18,20-tetrazapentacyclo[9.7.1.14,7.02,8.015,19]icosa-1(18),11,13,15(19),16-pentaen-13-yl]-5-ethylnaphthalen-2-ol
CID 177373138
6-[12,14-difluoro-17-[[(2R,8S)-2-fluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclobutane]-8-yl]methoxy]-10-oxa-2,16,18,20-tetrazapentacyclo[9.7.1.14,7.02,8.015,19]icosa-1(18),11,13,15(19),16-pentaen-13-yl]-4-ethyl-5-(trifluoromethyl)pyridin-2-amine
CID 176790571
(5aR,9aR)-1-ethyl-5a,6,7,8,9,9a-hexahydro-5H-pyrido[4,3-e][1,4]oxazepin-2-one
CID 129322016

Frequently Asked Questions

What is the IUPAC name of (10S)-7-ethyl-6-methyl-4-oxa-8,13-diazatricyclo[8.2.1.02,8]tridec-6-ene?
The IUPAC name of (10S)-7-ethyl-6-methyl-4-oxa-8,13-diazatricyclo[8.2.1.02,8]tridec-6-ene (CID 176926827) is (10S)-7-ethyl-6-methyl-4-oxa-8,13-diazatricyclo[8.2.1.02,8]tridec-6-ene.
What is the SMILES notation for (10S)-7-ethyl-6-methyl-4-oxa-8,13-diazatricyclo[8.2.1.02,8]tridec-6-ene?
The canonical SMILES for (10S)-7-ethyl-6-methyl-4-oxa-8,13-diazatricyclo[8.2.1.02,8]tridec-6-ene is CCC1=C(C)COCC2C3CC[C@@H](CN12)N3.
What is the InChIKey of (10S)-7-ethyl-6-methyl-4-oxa-8,13-diazatricyclo[8.2.1.02,8]tridec-6-ene?
The InChIKey is JYBVNOSCHZAKKY-ZBOXLXRLSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-12-9(2)7-16-8-13-11-5-4-10(14-11)6-15(12)13/h10-11,13-14H,3-8H2,1-2H3/t10-,11?,13?/m0/s1.
What are the key properties of (10S)-7-ethyl-6-methyl-4-oxa-8,13-diazatricyclo[8.2.1.02,8]tridec-6-ene?
(10S)-7-ethyl-6-methyl-4-oxa-8,13-diazatricyclo[8.2.1.02,8]tridec-6-ene has a molecular weight of 222.33 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-7-ethyl-6-methyl-4-oxa-8,13-diazatricyclo[8.2.1.02,8]tridec-6-ene is sourced from PubChem (CID 176926827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).