9,10,11-trimethoxy-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one

C14H17NO4 — CID 171976359

IUPAC9,10,11-trimethoxy-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one
SMILESCOc1c2c3c(c(OC)c1OC)C(=O)CC3NCC2
InChIInChI=1S/C14H17NO4/c1-17-12-7-4-5-15-8-6-9(16)11(10(7)8)13(18-2)14(12)19-3/h8,15H,4-6H2,1-3H3
InChIKeyHKFYBFDAEUFZOV-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.49
Rot. Bonds3

About 9,10,11-trimethoxy-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one

9,10,11-trimethoxy-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one (PubChem CID 171976359) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 9,10,11-trimethoxy-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one.

Molecular Properties

Compound Name9,10,11-trimethoxy-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one
PubChem CID171976359
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name9,10,11-trimethoxy-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one
SMILESCOc1c2c3c(c(OC)c1OC)C(=O)CC3NCC2
InChIInChI=1S/C14H17NO4/c1-17-12-7-4-5-15-8-6-9(16)11(10(7)8)13(18-2)14(12)19-3/h8,15H,4-6H2,1-3H3
InChIKeyHKFYBFDAEUFZOV-UHFFFAOYSA-N
XLogP1.49
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9,10,11-trimethoxy-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one with MolForge

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Related Compounds

(6aR)-1,2,3,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
CID 163036989
(12S)-17,18,19-trimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),9,16(20),17-hexaene
CID 163009713
1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,11-diol
CID 14378685
(12R)-17,18-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),9,16(20),17-hexaen-19-ol
CID 102284335
(12S)-7,16,17-trimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-15-ol
CID 163087632
7,8,9,14,15,16-hexamethoxypentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),6,8,10(18),13(17),14-hexaene
CID 102373586
6-bromo-5,8-dimethoxy-7-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 84608511
7,8-dimethoxy-3,3a,4,5-tetrahydro-2H-acenaphthylen-1-one
CID 19820648
9-hydroxy-7-(9-hydroxy-1,3,4-trimethoxy-8-oxo-6,7,10,10a-tetrahydro-5H-anthracen-2-yl)-5,6,8-trimethoxy-3,4,4a,10-tetrahydro-2H-anthracen-1-one
CID 102107759
(4R)-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one
CID 7060632
[(1S,14S)-9,20,21,25-tetramethoxy-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,31-dodecaen-19-yl] acetate
CID 10508473
1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
CID 5320211

Frequently Asked Questions

What is the IUPAC name of 9,10,11-trimethoxy-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one?
The IUPAC name of 9,10,11-trimethoxy-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one (CID 171976359) is 9,10,11-trimethoxy-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one.
What is the SMILES notation for 9,10,11-trimethoxy-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one?
The canonical SMILES for 9,10,11-trimethoxy-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one is COc1c2c3c(c(OC)c1OC)C(=O)CC3NCC2.
What is the InChIKey of 9,10,11-trimethoxy-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one?
The InChIKey is HKFYBFDAEUFZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-17-12-7-4-5-15-8-6-9(16)11(10(7)8)13(18-2)14(12)19-3/h8,15H,4-6H2,1-3H3.
What are the key properties of 9,10,11-trimethoxy-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one?
9,10,11-trimethoxy-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one has a molecular weight of 263.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10,11-trimethoxy-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one is sourced from PubChem (CID 171976359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).