6-ethyl-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,6-dien-4-one

C11H15N3O3 — CID 144702753

IUPAC6-ethyl-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,6-dien-4-one
SMILESCCc1[nH]c(=O)nc2c1OCC1COCCN21
InChIInChI=1S/C11H15N3O3/c1-2-8-9-10(13-11(15)12-8)14-3-4-16-5-7(14)6-17-9/h7H,2-6H2,1H3,(H,12,13,15)
InChIKeyFERZENKSRFXRMR-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.07
Rot. Bonds1

About 6-ethyl-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,6-dien-4-one

6-ethyl-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,6-dien-4-one (PubChem CID 144702753) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-ethyl-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,6-dien-4-one.

Molecular Properties

Compound Name6-ethyl-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,6-dien-4-one
PubChem CID144702753
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-ethyl-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,6-dien-4-one
SMILESCCc1[nH]c(=O)nc2c1OCC1COCCN21
InChIInChI=1S/C11H15N3O3/c1-2-8-9-10(13-11(15)12-8)14-3-4-16-5-7(14)6-17-9/h7H,2-6H2,1H3,(H,12,13,15)
InChIKeyFERZENKSRFXRMR-UHFFFAOYSA-N
XLogP-0.07
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,6-dien-4-one with MolForge

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Related Compounds

2-[(10S)-4-chloro-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-6-yl]propan-2-ol
CID 90448661
2-(4-chloro-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-6-yl)acetonitrile
CID 90448705
2-(4-chloro-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-6-yl)-2-methylthiolane 1,1-dioxide
CID 118684048
4-methyl-3-[4-(2-methyl-1H-indol-4-yl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-6-yl]-1-oxa-4λ6-thiacyclohex-3-ene 4-oxide
CID 163726126
(10R)-4-(1H-indazol-4-yl)-6-(2-methylsulfonylpropan-2-yl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
CID 118684037
2-[(10S)-4-chloro-8,12-dioxa-1,5-diazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-6-yl]propan-2-ol
CID 163482028
2-[4-(1H-indol-4-yl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-6-yl]propan-2-ol
CID 123759640
4-(1H-indol-4-yl)-6-(4-methylsulfonylpiperidin-4-yl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
CID 123793595
4-methyl-13-oxa-1,3,8-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-9-one
CID 81137688
6-[4-(1H-indol-4-yl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-6-yl]-3,7-dimethyl-7λ6-thia-3-azabicyclo[4.1.0]hept-1(7)-ene 7-oxide
CID 153021072
4-(5-fluoro-1H-indol-4-yl)-6-(4-methylsulfonyloxan-4-yl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
CID 86268387
N-methyl-1-[(10S)-6-(2-methylsulfonylpropan-2-yl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]benzimidazol-2-amine
CID 86268192

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,6-dien-4-one?
The IUPAC name of 6-ethyl-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,6-dien-4-one (CID 144702753) is 6-ethyl-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,6-dien-4-one.
What is the SMILES notation for 6-ethyl-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,6-dien-4-one?
The canonical SMILES for 6-ethyl-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,6-dien-4-one is CCc1[nH]c(=O)nc2c1OCC1COCCN21.
What is the InChIKey of 6-ethyl-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,6-dien-4-one?
The InChIKey is FERZENKSRFXRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-8-9-10(13-11(15)12-8)14-3-4-16-5-7(14)6-17-9/h7H,2-6H2,1H3,(H,12,13,15).
What are the key properties of 6-ethyl-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,6-dien-4-one?
6-ethyl-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,6-dien-4-one has a molecular weight of 237.26 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,6-dien-4-one is sourced from PubChem (CID 144702753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).