(1S,5R)-N,N-dimethyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide

C10H18N2O2 — CID 155758502

IUPAC(1S,5R)-N,N-dimethyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCN(C)C(=O)C1C[C@H]2COC[C@@H](C1)N2
InChIInChI=1S/C10H18N2O2/c1-12(2)10(13)7-3-8-5-14-6-9(4-7)11-8/h7-9,11H,3-6H2,1-2H3/t7?,8-,9+
InChIKeyKMVXWKXEDMYCGU-CBLAIPOGSA-N
MW198.27 g/mol
LogP-0.16
Rot. Bonds1

About (1S,5R)-N,N-dimethyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide

(1S,5R)-N,N-dimethyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 155758502) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (1S,5R)-N,N-dimethyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N,N-dimethyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID155758502
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(1S,5R)-N,N-dimethyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCN(C)C(=O)C1C[C@H]2COC[C@@H](C1)N2
InChIInChI=1S/C10H18N2O2/c1-12(2)10(13)7-3-8-5-14-6-9(4-7)11-8/h7-9,11H,3-6H2,1-2H3/t7?,8-,9+
InChIKeyKMVXWKXEDMYCGU-CBLAIPOGSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N,N-dimethyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of (1S,5R)-N,N-dimethyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide (CID 155758502) is (1S,5R)-N,N-dimethyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for (1S,5R)-N,N-dimethyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for (1S,5R)-N,N-dimethyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide is CN(C)C(=O)C1C[C@H]2COC[C@@H](C1)N2.
What is the InChIKey of (1S,5R)-N,N-dimethyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is KMVXWKXEDMYCGU-CBLAIPOGSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-12(2)10(13)7-3-8-5-14-6-9(4-7)11-8/h7-9,11H,3-6H2,1-2H3/t7?,8-,9+.
What are the key properties of (1S,5R)-N,N-dimethyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide?
(1S,5R)-N,N-dimethyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 198.27 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N,N-dimethyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 155758502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).