9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide

C9H16N2O2 — CID 171936374

IUPAC9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCN1C2COCC1CC(C(N)=O)C2
InChIInChI=1S/C9H16N2O2/c1-11-7-2-6(9(10)12)3-8(11)5-13-4-7/h6-8H,2-5H2,1H3,(H2,10,12)
InChIKeyMENJPSUKWJUABH-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.42
Rot. Bonds1

About 9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide

9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 171936374) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound Name9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID171936374
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCN1C2COCC1CC(C(N)=O)C2
InChIInChI=1S/C9H16N2O2/c1-11-7-2-6(9(10)12)3-8(11)5-13-4-7/h6-8H,2-5H2,1H3,(H2,10,12)
InChIKeyMENJPSUKWJUABH-UHFFFAOYSA-N
XLogP-0.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of 9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide (CID 171936374) is 9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for 9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for 9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide is CN1C2COCC1CC(C(N)=O)C2.
What is the InChIKey of 9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is MENJPSUKWJUABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-11-7-2-6(9(10)12)3-8(11)5-13-4-7/h6-8H,2-5H2,1H3,(H2,10,12).
What are the key properties of 9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide?
9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 184.24 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 171936374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).