3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide

C11H18N2O2 — CID 62713051

IUPAC3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide
SMILESNC(=O)CCN1C2CCCC1CC(=O)C2
InChIInChI=1S/C11H18N2O2/c12-11(15)4-5-13-8-2-1-3-9(13)7-10(14)6-8/h8-9H,1-7H2,(H2,12,15)
InChIKeyWHQCHIITZKVYMJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.45
Rot. Bonds3

About 3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide

3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide (PubChem CID 62713051) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide.

Molecular Properties

Compound Name3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide
PubChem CID62713051
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide
SMILESNC(=O)CCN1C2CCCC1CC(=O)C2
InChIInChI=1S/C11H18N2O2/c12-11(15)4-5-13-8-2-1-3-9(13)7-10(14)6-8/h8-9H,1-7H2,(H2,12,15)
InChIKeyWHQCHIITZKVYMJ-UHFFFAOYSA-N
XLogP0.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 69636744
CID 69636744
CID 173136328
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CID 55106025
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CID 55106315
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CID 62712339
CID 62712339
CID 62712340
CID 62712340
CID 62712342
CID 62712342
CID 62712701
CID 62712701

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?
The IUPAC name of 3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide (CID 62713051) is 3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide.
What is the SMILES notation for 3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?
The canonical SMILES for 3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide is NC(=O)CCN1C2CCCC1CC(=O)C2.
What is the InChIKey of 3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?
The InChIKey is WHQCHIITZKVYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c12-11(15)4-5-13-8-2-1-3-9(13)7-10(14)6-8/h8-9H,1-7H2,(H2,12,15).
What are the key properties of 3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?
3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide has a molecular weight of 210.28 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide is sourced from PubChem (CID 62713051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).