methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate

C10H10O2 — CID 124511173

IUPACmethyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
SMILESCOC(=O)[C@H]1Cc2ccccc21
InChIInChI=1S/C10H10O2/c1-12-10(11)9-6-7-4-2-3-5-8(7)9/h2-5,9H,6H2,1H3/t9-/m0/s1
InChIKeyXWGYSWFRKUQSLL-VIFPVBQESA-N
MW162.19 g/mol
LogP1.50
Rot. Bonds1

About methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate

methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate (PubChem CID 124511173) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate.

Molecular Properties

Compound Namemethyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
PubChem CID124511173
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Namemethyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
SMILESCOC(=O)[C@H]1Cc2ccccc21
InChIInChI=1S/C10H10O2/c1-12-10(11)9-6-7-4-2-3-5-8(7)9/h2-5,9H,6H2,1H3/t9-/m0/s1
InChIKeyXWGYSWFRKUQSLL-VIFPVBQESA-N
XLogP1.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl (4S,9R)-4,5,9,10-tetrahydropyrene-4,9-dicarboxylate
CID 102370718
methyl 3-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 77428227
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
2,3-dihydro-1H-indene-1-carboxylic acid;methanol;methoxymethane;methyl 2,3-dihydro-1H-indene-1-carboxylate
CID 158912693
methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
CID 83985069
dimethyl (9S,10S)-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dicarboxylate
CID 134853900
N-(2,2-dimethoxyethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395346
methyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate
CID 101211176
dimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate
CID 13171844
methyl 11-[(2-chloroacetyl)carbamoyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxylate
CID 130348279
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone
CID 23248
methyl 2-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(cyclopentyl)amino]acetate
CID 80717906

Frequently Asked Questions

What is the IUPAC name of methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate?
The IUPAC name of methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate (CID 124511173) is methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate.
What is the SMILES notation for methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate?
The canonical SMILES for methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate is COC(=O)[C@H]1Cc2ccccc21.
What is the InChIKey of methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate?
The InChIKey is XWGYSWFRKUQSLL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10O2/c1-12-10(11)9-6-7-4-2-3-5-8(7)9/h2-5,9H,6H2,1H3/t9-/m0/s1.
What are the key properties of methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate?
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate has a molecular weight of 162.19 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate is sourced from PubChem (CID 124511173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).