9-(cyclopropanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one

C12H17NO2 — CID 134793427

IUPAC9-(cyclopropanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2C(=O)C1CC1
InChIInChI=1S/C12H17NO2/c14-11-6-9-2-1-3-10(7-11)13(9)12(15)8-4-5-8/h8-10H,1-7H2
InChIKeyVEQPBLVBGIEBRE-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.51
Rot. Bonds1

About 9-(cyclopropanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one

9-(cyclopropanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 134793427) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 9-(cyclopropanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-(cyclopropanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID134793427
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name9-(cyclopropanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2C(=O)C1CC1
InChIInChI=1S/C12H17NO2/c14-11-6-9-2-1-3-10(7-11)13(9)12(15)8-4-5-8/h8-10H,1-7H2
InChIKeyVEQPBLVBGIEBRE-UHFFFAOYSA-N
XLogP1.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-(cyclopropanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one (CID 134793427) is 9-(cyclopropanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-(cyclopropanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-(cyclopropanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one is O=C1CC2CCCC(C1)N2C(=O)C1CC1.
What is the InChIKey of 9-(cyclopropanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is VEQPBLVBGIEBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-11-6-9-2-1-3-10(7-11)13(9)12(15)8-4-5-8/h8-10H,1-7H2.
What are the key properties of 9-(cyclopropanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one?
9-(cyclopropanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 207.27 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropanecarbonyl)-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 134793427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).