cyclopropyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate

C19H25NO2 — CID 22896844

IUPACcyclopropyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
SMILESCc1ccc(C2CC3CCC(C2C(=O)OC2CC2)N3C)cc1
InChIInChI=1S/C19H25NO2/c1-12-3-5-13(6-4-12)16-11-14-7-10-17(20(14)2)18(16)19(21)22-15-8-9-15/h3-6,14-18H,7-11H2,1-2H3
InChIKeyLJQDDHCTODTELH-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.27
Rot. Bonds3

About cyclopropyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate

cyclopropyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate (PubChem CID 22896844) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is cyclopropyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate.

Molecular Properties

Compound Namecyclopropyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
PubChem CID22896844
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Namecyclopropyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
SMILESCc1ccc(C2CC3CCC(C2C(=O)OC2CC2)N3C)cc1
InChIInChI=1S/C19H25NO2/c1-12-3-5-13(6-4-12)16-11-14-7-10-17(20(14)2)18(16)19(21)22-15-8-9-15/h3-6,14-18H,7-11H2,1-2H3
InChIKeyLJQDDHCTODTELH-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate?
The IUPAC name of cyclopropyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate (CID 22896844) is cyclopropyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate.
What is the SMILES notation for cyclopropyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate?
The canonical SMILES for cyclopropyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate is Cc1ccc(C2CC3CCC(C2C(=O)OC2CC2)N3C)cc1.
What is the InChIKey of cyclopropyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate?
The InChIKey is LJQDDHCTODTELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-12-3-5-13(6-4-12)16-11-14-7-10-17(20(14)2)18(16)19(21)22-15-8-9-15/h3-6,14-18H,7-11H2,1-2H3.
What are the key properties of cyclopropyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate?
cyclopropyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate is sourced from PubChem (CID 22896844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).