(1-methylcyclopropyl) 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate

C12H20N2O3 — CID 71263351

IUPAC(1-methylcyclopropyl) 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate
SMILESCN1C2COCC1CN(C(=O)OC1(C)CC1)C2
InChIInChI=1S/C12H20N2O3/c1-12(3-4-12)17-11(15)14-5-9-7-16-8-10(6-14)13(9)2/h9-10H,3-8H2,1-2H3
InChIKeyZYCYSQPQOYMRMG-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.69
Rot. Bonds1

About (1-methylcyclopropyl) 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate

(1-methylcyclopropyl) 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate (PubChem CID 71263351) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (1-methylcyclopropyl) 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate.

Molecular Properties

Compound Name(1-methylcyclopropyl) 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate
PubChem CID71263351
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(1-methylcyclopropyl) 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate
SMILESCN1C2COCC1CN(C(=O)OC1(C)CC1)C2
InChIInChI=1S/C12H20N2O3/c1-12(3-4-12)17-11(15)14-5-9-7-16-8-10(6-14)13(9)2/h9-10H,3-8H2,1-2H3
InChIKeyZYCYSQPQOYMRMG-UHFFFAOYSA-N
XLogP0.69
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl) 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate?
The IUPAC name of (1-methylcyclopropyl) 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate (CID 71263351) is (1-methylcyclopropyl) 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate.
What is the SMILES notation for (1-methylcyclopropyl) 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate?
The canonical SMILES for (1-methylcyclopropyl) 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate is CN1C2COCC1CN(C(=O)OC1(C)CC1)C2.
What is the InChIKey of (1-methylcyclopropyl) 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate?
The InChIKey is ZYCYSQPQOYMRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(3-4-12)17-11(15)14-5-9-7-16-8-10(6-14)13(9)2/h9-10H,3-8H2,1-2H3.
What are the key properties of (1-methylcyclopropyl) 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate?
(1-methylcyclopropyl) 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl) 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate is sourced from PubChem (CID 71263351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).