methyl 6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine-3-carboxylate

C11H14N2O2 — CID 101416291

IUPACmethyl 6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine-3-carboxylate
SMILESCOC(=O)c1cc2c(nn1)CCCCC2
InChIInChI=1S/C11H14N2O2/c1-15-11(14)10-7-8-5-3-2-4-6-9(8)12-13-10/h7H,2-6H2,1H3
InChIKeyMWMHDUQAJITMEP-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.53
Rot. Bonds1

About methyl 6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine-3-carboxylate

methyl 6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine-3-carboxylate (PubChem CID 101416291) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl 6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine-3-carboxylate
PubChem CID101416291
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Namemethyl 6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine-3-carboxylate
SMILESCOC(=O)c1cc2c(nn1)CCCCC2
InChIInChI=1S/C11H14N2O2/c1-15-11(14)10-7-8-5-3-2-4-6-9(8)12-13-10/h7H,2-6H2,1H3
InChIKeyMWMHDUQAJITMEP-UHFFFAOYSA-N
XLogP1.53
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5,6-dihydrofuro[2,3-c]pyridazine-3-carboxylate
CID 178200725
methyl 1-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine-3-carboxylate
CID 135043295
methyl 17-azabicyclo[14.2.2]icosa-1(19),16(20),17-triene-20-carboxylate
CID 101083824
methyl 14-[1-(16-methoxycarbonyl-13-azabicyclo[10.2.2]hexadeca-1(15),12(16),13-trien-14-yl)ethenyl]-13-azabicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-16-carboxylate
CID 102205890
methyl bicyclo[6.2.2]dodeca-1(10),8,11-triene-9-carboxylate
CID 13082513
methyl bicyclo[8.2.2]tetradeca-1(12),10,13-triene-11-carboxylate
CID 14957120
dimethyl tricyclo[16.2.2.28,11]tetracosa-1(20),8,10,18,21,23-hexaene-9,19-dicarboxylate
CID 44725366
methyl 6-chloro-5-methoxypyridazine-3-carboxylate
CID 169452804
methyl 6-oxo-2,7-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,8-tetraene-3-carboxylate
CID 54613146
N-(2-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carboxamide
CID 146080187
ethane;3-methyl-5,6,7,8-tetrahydrocinnoline
CID 176717878
methyl 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 126854021

Frequently Asked Questions

What is the IUPAC name of methyl 6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine-3-carboxylate?
The IUPAC name of methyl 6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine-3-carboxylate (CID 101416291) is methyl 6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine-3-carboxylate is COC(=O)c1cc2c(nn1)CCCCC2.
What is the InChIKey of methyl 6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine-3-carboxylate?
The InChIKey is MWMHDUQAJITMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-11(14)10-7-8-5-3-2-4-6-9(8)12-13-10/h7H,2-6H2,1H3.
What are the key properties of methyl 6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine-3-carboxylate?
methyl 6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine-3-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine-3-carboxylate is sourced from PubChem (CID 101416291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).