methyl 8-methyl-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate

C19H25NO2 — CID 22896897

IUPACmethyl 8-methyl-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
SMILESC=C(C)c1ccc(C2CC3CCC(C2C(=O)OC)N3C)cc1
InChIInChI=1S/C19H25NO2/c1-12(2)13-5-7-14(8-6-13)16-11-15-9-10-17(20(15)3)18(16)19(21)22-4/h5-8,15-18H,1,9-11H2,2-4H3
InChIKeyMJWJZYIEKUODDB-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.46
Rot. Bonds3

About methyl 8-methyl-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate

methyl 8-methyl-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate (PubChem CID 22896897) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is methyl 8-methyl-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-methyl-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
PubChem CID22896897
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Namemethyl 8-methyl-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
SMILESC=C(C)c1ccc(C2CC3CCC(C2C(=O)OC)N3C)cc1
InChIInChI=1S/C19H25NO2/c1-12(2)13-5-7-14(8-6-13)16-11-15-9-10-17(20(15)3)18(16)19(21)22-4/h5-8,15-18H,1,9-11H2,2-4H3
InChIKeyMJWJZYIEKUODDB-UHFFFAOYSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 8-methyl-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate with MolForge

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Related Compounds

Ioflupane I-123
CID 3086674
Win 35428
CID 105056
Ioflupane
CID 10048368
Methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-((2E)-3-iodo-2-propen-1-yl)-8-azabicyclo(3.2.1)octane-2-carboxylate
CID 6440180
Troparil
CID 170832
Iometopane
CID 108220
Cinnamoylcocaine
CID 6440936
3-p-Tolyl-8-aza-bicyclo[3.2.1]octane
CID 10106631
3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid isopropyl ester
CID 22896847
Lbt-999
CID 57391708
8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane
CID 9881979
methyl (2S,3S,5R)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 44462219

Frequently Asked Questions

What is the IUPAC name of methyl 8-methyl-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate?
The IUPAC name of methyl 8-methyl-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate (CID 22896897) is methyl 8-methyl-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate.
What is the SMILES notation for methyl 8-methyl-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate?
The canonical SMILES for methyl 8-methyl-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate is C=C(C)c1ccc(C2CC3CCC(C2C(=O)OC)N3C)cc1.
What is the InChIKey of methyl 8-methyl-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate?
The InChIKey is MJWJZYIEKUODDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-12(2)13-5-7-14(8-6-13)16-11-15-9-10-17(20(15)3)18(16)19(21)22-4/h5-8,15-18H,1,9-11H2,2-4H3.
What are the key properties of methyl 8-methyl-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate?
methyl 8-methyl-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methyl-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate is sourced from PubChem (CID 22896897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).