methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate

C17H14O3 — CID 18998711

IUPACmethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCc1ccccc1C2=O
InChIInChI=1S/C17H14O3/c1-20-17(19)13-8-9-15-12(10-13)7-6-11-4-2-3-5-14(11)16(15)18/h2-5,8-10H,6-7H2,1H3
InChIKeyIUTZSUHSXJULOV-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.80
Rot. Bonds1

About methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate

methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate (PubChem CID 18998711) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate
PubChem CID18998711
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Namemethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCc1ccccc1C2=O
InChIInChI=1S/C17H14O3/c1-20-17(19)13-8-9-15-12(10-13)7-6-11-4-2-3-5-14(11)16(15)18/h2-5,8-10H,6-7H2,1H3
InChIKeyIUTZSUHSXJULOV-UHFFFAOYSA-N
XLogP2.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate with MolForge

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Related Compounds

methyl 6-(cyclobutylmethylidene)-5-oxo-7,8-dihydronaphthalene-2-carboxylate
CID 66722983
methyl (6Z)-6-(cyclopentylmethylidene)-5-oxo-7,8-dihydronaphthalene-2-carboxylate
CID 66722546
methyl (2Z)-2-[[3-(methanesulfonamido)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate
CID 59770086
methyl 2-[[3-(methanesulfonamido)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate
CID 72556989
methyl 11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxylate
CID 13152889
methyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate
CID 154810461
6-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 22117289
methyl 7-methyl-8-[2-(trifluoromethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate
CID 118525838
methyl 6-methoxy-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-14-carboxylate
CID 134206195
methyl (9E)-9-(2-methoxycarbonylfluoren-9-ylidene)fluorene-2-carboxylate
CID 14593436
methyl 10-(3-methoxycarbonyl-10-oxo-9H-anthracen-9-yl)-9-oxo-10H-anthracene-2-carboxylate
CID 4639370
methyl 6,6-diethyl-5-oxo-7,8-dihydronaphthalene-2-carboxylate
CID 102085766

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate?
The IUPAC name of methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate (CID 18998711) is methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate.
What is the SMILES notation for methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate?
The canonical SMILES for methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate is COC(=O)c1ccc2c(c1)CCc1ccccc1C2=O.
What is the InChIKey of methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate?
The InChIKey is IUTZSUHSXJULOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-20-17(19)13-8-9-15-12(10-13)7-6-11-4-2-3-5-14(11)16(15)18/h2-5,8-10H,6-7H2,1H3.
What are the key properties of methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate?
methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate is sourced from PubChem (CID 18998711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).