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

C8H15N3O2 — CID 171936462

IUPAC7-amino-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESNC(=O)C1(N)CC2COCC(C1)N2
InChIInChI=1S/C8H15N3O2/c9-7(12)8(10)1-5-3-13-4-6(2-8)11-5/h5-6,11H,1-4,10H2,(H2,9,12)
InChIKeyAWHGZXKXYOOLAL-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.68
Rot. Bonds1

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

7-amino-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 171936462) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 7-amino-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound Name7-amino-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID171936462
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name7-amino-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESNC(=O)C1(N)CC2COCC(C1)N2
InChIInChI=1S/C8H15N3O2/c9-7(12)8(10)1-5-3-13-4-6(2-8)11-5/h5-6,11H,1-4,10H2,(H2,9,12)
InChIKeyAWHGZXKXYOOLAL-UHFFFAOYSA-N
XLogP-1.68
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of 7-amino-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide (CID 171936462) is 7-amino-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for 7-amino-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for 7-amino-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide is NC(=O)C1(N)CC2COCC(C1)N2.
What is the InChIKey of 7-amino-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is AWHGZXKXYOOLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c9-7(12)8(10)1-5-3-13-4-6(2-8)11-5/h5-6,11H,1-4,10H2,(H2,9,12).
What are the key properties of 7-amino-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide?
7-amino-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 185.23 g/mol, XLogP of -1.68, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 171936462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).