1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-cyclopropylethanone

C13H21NO — CID 171938145

IUPAC1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-cyclopropylethanone
SMILESO=C(CC1CC1)C1CC2CCCC(C1)N2
InChIInChI=1S/C13H21NO/c15-13(6-9-4-5-9)10-7-11-2-1-3-12(8-10)14-11/h9-12,14H,1-8H2
InChIKeyQBQBCGMSRQCVSR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.28
Rot. Bonds3

About 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-cyclopropylethanone

1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-cyclopropylethanone (PubChem CID 171938145) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-cyclopropylethanone.

Molecular Properties

Compound Name1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-cyclopropylethanone
PubChem CID171938145
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-cyclopropylethanone
SMILESO=C(CC1CC1)C1CC2CCCC(C1)N2
InChIInChI=1S/C13H21NO/c15-13(6-9-4-5-9)10-7-11-2-1-3-12(8-10)14-11/h9-12,14H,1-8H2
InChIKeyQBQBCGMSRQCVSR-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethanone
CID 114973977
1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-dioxolan-2-yl)ethanone
CID 171937673
1-(9-azabicyclo[3.3.1]nonan-3-yl)pent-4-en-1-one
CID 171938408
1-(9-azabicyclo[3.3.1]nonan-3-yl)-5,5,5-trifluoropentan-1-one
CID 171950141
1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one
CID 171937877
1-(9-azabicyclo[3.3.1]nonan-3-yl)-5-methylhex-4-en-1-one
CID 171937926
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-methyloxetan-3-yl)ethanone
CID 171937634
6-azabicyclo[3.1.1]heptane;methanol
CID 169176721
2-(azetidin-3-yl)-1-cyclobutylethanone
CID 116582434
1-(9-azabicyclo[3.3.1]nonan-3-yl)-4-phenylbutan-1-one
CID 171947997
2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanone
CID 115336272
2-cyclopentyl-1-(3-ethylcyclopentyl)ethanone
CID 65408905

Frequently Asked Questions

What is the IUPAC name of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-cyclopropylethanone?
The IUPAC name of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-cyclopropylethanone (CID 171938145) is 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-cyclopropylethanone.
What is the SMILES notation for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-cyclopropylethanone?
The canonical SMILES for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-cyclopropylethanone is O=C(CC1CC1)C1CC2CCCC(C1)N2.
What is the InChIKey of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-cyclopropylethanone?
The InChIKey is QBQBCGMSRQCVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c15-13(6-9-4-5-9)10-7-11-2-1-3-12(8-10)14-11/h9-12,14H,1-8H2.
What are the key properties of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-cyclopropylethanone?
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-cyclopropylethanone has a molecular weight of 207.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-cyclopropylethanone is sourced from PubChem (CID 171938145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).