6-ethyl-9-(oxolan-2-yl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one

C16H20N2O3 — CID 167794702

IUPAC6-ethyl-9-(oxolan-2-yl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one
SMILESCCc1cccc2c1OC1(C3CCCO3)CC2NC(=O)N1
InChIInChI=1S/C16H20N2O3/c1-2-10-5-3-6-11-12-9-16(21-14(10)11,18-15(19)17-12)13-7-4-8-20-13/h3,5-6,12-13H,2,4,7-9H2,1H3,(H2,17,18,19)
InChIKeyCDFDGDZKEMZNRW-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.26
Rot. Bonds2

About 6-ethyl-9-(oxolan-2-yl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one

6-ethyl-9-(oxolan-2-yl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one (PubChem CID 167794702) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-ethyl-9-(oxolan-2-yl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one.

Molecular Properties

Compound Name6-ethyl-9-(oxolan-2-yl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one
PubChem CID167794702
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name6-ethyl-9-(oxolan-2-yl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one
SMILESCCc1cccc2c1OC1(C3CCCO3)CC2NC(=O)N1
InChIInChI=1S/C16H20N2O3/c1-2-10-5-3-6-11-12-9-16(21-14(10)11,18-15(19)17-12)13-7-4-8-20-13/h3,5-6,12-13H,2,4,7-9H2,1H3,(H2,17,18,19)
InChIKeyCDFDGDZKEMZNRW-UHFFFAOYSA-N
XLogP2.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
CID 75481471
(1S,9S)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one
CID 1285475
6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione
CID 4154151
(1S,9R)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione
CID 98045850
2-[(2S)-azetidin-2-yl]-6-ethylphenol
CID 130780797
10-ethyl-4-methyl-9-[(2R)-oxolan-2-yl]-8-oxa-3,10,12-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
CID 146103149
6-methoxy-9-methyl-10-propyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
CID 106460289
5-methyl-5-(oxolan-2-yl)pyrrolidine-2,4-dione
CID 164648047
5-ethyl-1-methyl-1,2,3,4-tetrahydronaphthalene
CID 57495738
(5S)-5-(2-ethylphenyl)pyrrolidin-2-one
CID 130615199
(17Z)-17-(1-hydroxyethylidene)-4-methoxy-2-oxa-15-azatetracyclo[7.5.3.01,10.03,8]heptadeca-3(8),4,6-trien-16-one
CID 54711717
8-ethyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512680

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-9-(oxolan-2-yl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one?
The IUPAC name of 6-ethyl-9-(oxolan-2-yl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one (CID 167794702) is 6-ethyl-9-(oxolan-2-yl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one.
What is the SMILES notation for 6-ethyl-9-(oxolan-2-yl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one?
The canonical SMILES for 6-ethyl-9-(oxolan-2-yl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one is CCc1cccc2c1OC1(C3CCCO3)CC2NC(=O)N1.
What is the InChIKey of 6-ethyl-9-(oxolan-2-yl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one?
The InChIKey is CDFDGDZKEMZNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-10-5-3-6-11-12-9-16(21-14(10)11,18-15(19)17-12)13-7-4-8-20-13/h3,5-6,12-13H,2,4,7-9H2,1H3,(H2,17,18,19).
What are the key properties of 6-ethyl-9-(oxolan-2-yl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one?
6-ethyl-9-(oxolan-2-yl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one has a molecular weight of 288.35 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-9-(oxolan-2-yl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one is sourced from PubChem (CID 167794702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).