methyl 1,2,8-trimethyl-5-(methylamino)-7-methylidene-2-azabicyclo[6.1.0]nonane-6-carboxylate

C15H26N2O2 — CID 90853797

IUPACmethyl 1,2,8-trimethyl-5-(methylamino)-7-methylidene-2-azabicyclo[6.1.0]nonane-6-carboxylate
SMILESC=C1C(C(=O)OC)C(NC)CCN(C)C2(C)CC12C
InChIInChI=1S/C15H26N2O2/c1-10-12(13(18)19-6)11(16-4)7-8-17(5)15(3)9-14(10,15)2/h11-12,16H,1,7-9H2,2-6H3
InChIKeyQQYNIGPNMKJLSE-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.42
Rot. Bonds2

About methyl 1,2,8-trimethyl-5-(methylamino)-7-methylidene-2-azabicyclo[6.1.0]nonane-6-carboxylate

methyl 1,2,8-trimethyl-5-(methylamino)-7-methylidene-2-azabicyclo[6.1.0]nonane-6-carboxylate (PubChem CID 90853797) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is methyl 1,2,8-trimethyl-5-(methylamino)-7-methylidene-2-azabicyclo[6.1.0]nonane-6-carboxylate.

Molecular Properties

Compound Namemethyl 1,2,8-trimethyl-5-(methylamino)-7-methylidene-2-azabicyclo[6.1.0]nonane-6-carboxylate
PubChem CID90853797
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Namemethyl 1,2,8-trimethyl-5-(methylamino)-7-methylidene-2-azabicyclo[6.1.0]nonane-6-carboxylate
SMILESC=C1C(C(=O)OC)C(NC)CCN(C)C2(C)CC12C
InChIInChI=1S/C15H26N2O2/c1-10-12(13(18)19-6)11(16-4)7-8-17(5)15(3)9-14(10,15)2/h11-12,16H,1,7-9H2,2-6H3
InChIKeyQQYNIGPNMKJLSE-UHFFFAOYSA-N
XLogP1.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 1,2,8-trimethyl-5-(methylamino)-7-methylidene-2-azabicyclo[6.1.0]nonane-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 1,2,8-trimethyl-5-(methylamino)-7-methylidene-2-azabicyclo[6.1.0]nonane-6-carboxylate?
The IUPAC name of methyl 1,2,8-trimethyl-5-(methylamino)-7-methylidene-2-azabicyclo[6.1.0]nonane-6-carboxylate (CID 90853797) is methyl 1,2,8-trimethyl-5-(methylamino)-7-methylidene-2-azabicyclo[6.1.0]nonane-6-carboxylate.
What is the SMILES notation for methyl 1,2,8-trimethyl-5-(methylamino)-7-methylidene-2-azabicyclo[6.1.0]nonane-6-carboxylate?
The canonical SMILES for methyl 1,2,8-trimethyl-5-(methylamino)-7-methylidene-2-azabicyclo[6.1.0]nonane-6-carboxylate is C=C1C(C(=O)OC)C(NC)CCN(C)C2(C)CC12C.
What is the InChIKey of methyl 1,2,8-trimethyl-5-(methylamino)-7-methylidene-2-azabicyclo[6.1.0]nonane-6-carboxylate?
The InChIKey is QQYNIGPNMKJLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10-12(13(18)19-6)11(16-4)7-8-17(5)15(3)9-14(10,15)2/h11-12,16H,1,7-9H2,2-6H3.
What are the key properties of methyl 1,2,8-trimethyl-5-(methylamino)-7-methylidene-2-azabicyclo[6.1.0]nonane-6-carboxylate?
methyl 1,2,8-trimethyl-5-(methylamino)-7-methylidene-2-azabicyclo[6.1.0]nonane-6-carboxylate has a molecular weight of 266.38 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2,8-trimethyl-5-(methylamino)-7-methylidene-2-azabicyclo[6.1.0]nonane-6-carboxylate is sourced from PubChem (CID 90853797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).