methyl 5-formyl-10-methylidene-8-oxotricyclo[5.3.1.02,6]undecane-3-carboxylate

C15H18O4 — CID 154927024

IUPACmethyl 5-formyl-10-methylidene-8-oxotricyclo[5.3.1.02,6]undecane-3-carboxylate
SMILESC=C1CC(=O)C2CC1C1C(C(=O)OC)CC(C=O)C21
InChIInChI=1S/C15H18O4/c1-7-3-12(17)10-5-9(7)14-11(15(18)19-2)4-8(6-16)13(10)14/h6,8-11,13-14H,1,3-5H2,2H3
InChIKeyMNRQPRVHMMEOKE-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.39
Rot. Bonds2

About methyl 5-formyl-10-methylidene-8-oxotricyclo[5.3.1.02,6]undecane-3-carboxylate

methyl 5-formyl-10-methylidene-8-oxotricyclo[5.3.1.02,6]undecane-3-carboxylate (PubChem CID 154927024) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is methyl 5-formyl-10-methylidene-8-oxotricyclo[5.3.1.02,6]undecane-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-formyl-10-methylidene-8-oxotricyclo[5.3.1.02,6]undecane-3-carboxylate
PubChem CID154927024
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Namemethyl 5-formyl-10-methylidene-8-oxotricyclo[5.3.1.02,6]undecane-3-carboxylate
SMILESC=C1CC(=O)C2CC1C1C(C(=O)OC)CC(C=O)C21
InChIInChI=1S/C15H18O4/c1-7-3-12(17)10-5-9(7)14-11(15(18)19-2)4-8(6-16)13(10)14/h6,8-11,13-14H,1,3-5H2,2H3
InChIKeyMNRQPRVHMMEOKE-UHFFFAOYSA-N
XLogP1.39
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 5-formyl-10-methylidene-8-oxotricyclo[5.3.1.02,6]undecane-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-methyl (1S,2S)-2-formylcyclobutane-1-carboxylate
CID 93496244
methyl 2-formylcyclobutane-1-carboxylate
CID 12721333
3,5-dimethylidene-3a,4,4a,7a,8,8a-hexahydro-s-indacene-1,7-dione;ethane
CID 144517587
3,5-dimethylidene-3a,4,4a,7a,8,8a-hexahydro-s-indacene-1,7-dione
CID 144517588
methyl (1R)-2-ethenylcyclopropane-1-carboxylate
CID 175542907
methyl (1R,2S,4S)-6-oxobicyclo[2.2.1]heptane-2-carboxylate
CID 99941546
methyl (1S,2R,4S)-6-oxobicyclo[2.2.1]heptane-2-carboxylate
CID 98148498
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
trans-methyl (1S,2R)-2-formylcyclohexane-1-carboxylate
CID 11126697
carbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate
CID 66957945
methyl (1S,6R)-6-formylcyclohex-3-ene-1-carboxylate
CID 57119350

Frequently Asked Questions

What is the IUPAC name of methyl 5-formyl-10-methylidene-8-oxotricyclo[5.3.1.02,6]undecane-3-carboxylate?
The IUPAC name of methyl 5-formyl-10-methylidene-8-oxotricyclo[5.3.1.02,6]undecane-3-carboxylate (CID 154927024) is methyl 5-formyl-10-methylidene-8-oxotricyclo[5.3.1.02,6]undecane-3-carboxylate.
What is the SMILES notation for methyl 5-formyl-10-methylidene-8-oxotricyclo[5.3.1.02,6]undecane-3-carboxylate?
The canonical SMILES for methyl 5-formyl-10-methylidene-8-oxotricyclo[5.3.1.02,6]undecane-3-carboxylate is C=C1CC(=O)C2CC1C1C(C(=O)OC)CC(C=O)C21.
What is the InChIKey of methyl 5-formyl-10-methylidene-8-oxotricyclo[5.3.1.02,6]undecane-3-carboxylate?
The InChIKey is MNRQPRVHMMEOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-7-3-12(17)10-5-9(7)14-11(15(18)19-2)4-8(6-16)13(10)14/h6,8-11,13-14H,1,3-5H2,2H3.
What are the key properties of methyl 5-formyl-10-methylidene-8-oxotricyclo[5.3.1.02,6]undecane-3-carboxylate?
methyl 5-formyl-10-methylidene-8-oxotricyclo[5.3.1.02,6]undecane-3-carboxylate has a molecular weight of 262.30 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-formyl-10-methylidene-8-oxotricyclo[5.3.1.02,6]undecane-3-carboxylate is sourced from PubChem (CID 154927024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).