propan-2-yl 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate

C11H20N2O3 — CID 71263356

IUPACpropan-2-yl 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate
SMILESCC(C)OC(=O)N1CC2COCC(C1)N2C
InChIInChI=1S/C11H20N2O3/c1-8(2)16-11(14)13-4-9-6-15-7-10(5-13)12(9)3/h8-10H,4-7H2,1-3H3
InChIKeySSBZMJQFYGGPHO-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.55
Rot. Bonds1

About propan-2-yl 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate

propan-2-yl 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate (PubChem CID 71263356) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is propan-2-yl 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate
PubChem CID71263356
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namepropan-2-yl 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate
SMILESCC(C)OC(=O)N1CC2COCC(C1)N2C
InChIInChI=1S/C11H20N2O3/c1-8(2)16-11(14)13-4-9-6-15-7-10(5-13)12(9)3/h8-10H,4-7H2,1-3H3
InChIKeySSBZMJQFYGGPHO-UHFFFAOYSA-N
XLogP0.55
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate?
The IUPAC name of propan-2-yl 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate (CID 71263356) is propan-2-yl 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate.
What is the SMILES notation for propan-2-yl 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate?
The canonical SMILES for propan-2-yl 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate is CC(C)OC(=O)N1CC2COCC(C1)N2C.
What is the InChIKey of propan-2-yl 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate?
The InChIKey is SSBZMJQFYGGPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)16-11(14)13-4-9-6-15-7-10(5-13)12(9)3/h8-10H,4-7H2,1-3H3.
What are the key properties of propan-2-yl 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate?
propan-2-yl 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate is sourced from PubChem (CID 71263356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).