methyl 8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-10-ene-10-carboxylate

C17H25NO3 — CID 4868248

IUPACmethyl 8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-10-ene-10-carboxylate
SMILESCOC(=O)C1=C2CC3CN4CCCC(C(O)C1)C24CC3C
InChIInChI=1S/C17H25NO3/c1-10-8-17-13-4-3-5-18(17)9-11(10)6-14(17)12(7-15(13)19)16(20)21-2/h10-11,13,15,19H,3-9H2,1-2H3
InChIKeyQLVYEQJRDUIHRS-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.73
Rot. Bonds1

About methyl 8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-10-ene-10-carboxylate

methyl 8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-10-ene-10-carboxylate (PubChem CID 4868248) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-10-ene-10-carboxylate.

Molecular Properties

Compound Namemethyl 8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-10-ene-10-carboxylate
PubChem CID4868248
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namemethyl 8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-10-ene-10-carboxylate
SMILESCOC(=O)C1=C2CC3CN4CCCC(C(O)C1)C24CC3C
InChIInChI=1S/C17H25NO3/c1-10-8-17-13-4-3-5-18(17)9-11(10)6-14(17)12(7-15(13)19)16(20)21-2/h10-11,13,15,19H,3-9H2,1-2H3
InChIKeyQLVYEQJRDUIHRS-UHFFFAOYSA-N
XLogP1.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-10-ene-10-carboxylate with MolForge

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Related Compounds

Annopodine
CID 12306652
methyl (1S,7S,8R,12R,14S)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-10-ene-10-carboxylate
CID 162900480
methyl (1R,7S,8R,12S,14R)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-10-ene-10-carboxylate
CID 12182231
Methyl 8-hydroxy-14-methyl-3-azoniatetracyclo[9.3.1.03,12.07,12]pentadec-10-ene-10-carboxylate
CID 4868247
methyl (1S,7S,8S,12R,14R)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-10-ene-10-carboxylate
CID 162900481

Frequently Asked Questions

What is the IUPAC name of methyl 8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-10-ene-10-carboxylate?
The IUPAC name of methyl 8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-10-ene-10-carboxylate (CID 4868248) is methyl 8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-10-ene-10-carboxylate.
What is the SMILES notation for methyl 8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-10-ene-10-carboxylate?
The canonical SMILES for methyl 8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-10-ene-10-carboxylate is COC(=O)C1=C2CC3CN4CCCC(C(O)C1)C24CC3C.
What is the InChIKey of methyl 8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-10-ene-10-carboxylate?
The InChIKey is QLVYEQJRDUIHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-10-8-17-13-4-3-5-18(17)9-11(10)6-14(17)12(7-15(13)19)16(20)21-2/h10-11,13,15,19H,3-9H2,1-2H3.
What are the key properties of methyl 8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-10-ene-10-carboxylate?
methyl 8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-10-ene-10-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-10-ene-10-carboxylate is sourced from PubChem (CID 4868248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).