2-(1,3-dioxolan-2-yl)-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone

C12H19NO4 — CID 171937692

IUPAC2-(1,3-dioxolan-2-yl)-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
SMILESO=C(CC1OCCO1)C1CC2COCC(C1)N2
InChIInChI=1S/C12H19NO4/c14-11(5-12-16-1-2-17-12)8-3-9-6-15-7-10(4-8)13-9/h8-10,12-13H,1-7H2
InChIKeyMRBOJQALHIRLHC-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.09
Rot. Bonds3

About 2-(1,3-dioxolan-2-yl)-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone

2-(1,3-dioxolan-2-yl)-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone (PubChem CID 171937692) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
PubChem CID171937692
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-(1,3-dioxolan-2-yl)-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
SMILESO=C(CC1OCCO1)C1CC2COCC(C1)N2
InChIInChI=1S/C12H19NO4/c14-11(5-12-16-1-2-17-12)8-3-9-6-15-7-10(4-8)13-9/h8-10,12-13H,1-7H2
InChIKeyMRBOJQALHIRLHC-UHFFFAOYSA-N
XLogP0.09
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-dioxolan-2-yl)-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone with MolForge

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Related Compounds

1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-dioxolan-2-yl)ethanone
CID 171937673
3-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3-oxopropanenitrile
CID 171938832
4-methyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pent-3-en-1-one
CID 171938638
5-methoxy-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one
CID 171937836
2-[(1S,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]acetic acid
CID 98234394
(Z)-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)but-2-en-1-one
CID 171938995
1-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-(1,3-dioxolan-2-yl)ethanone
CID 171937694
7-(1,3-dioxolan-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171951927
1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-trimethylsilylprop-2-en-1-one
CID 171938057
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-cyclopropylethanone
CID 171938145
2-(1,3-dioxolan-2-yl)-1-(3-ethylcyclohexyl)ethanone
CID 103543718
2-[3-(difluoromethoxy)phenyl]-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
CID 171949103

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone (CID 171937692) is 2-(1,3-dioxolan-2-yl)-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone is O=C(CC1OCCO1)C1CC2COCC(C1)N2.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone?
The InChIKey is MRBOJQALHIRLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-11(5-12-16-1-2-17-12)8-3-9-6-15-7-10(4-8)13-9/h8-10,12-13H,1-7H2.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone?
2-(1,3-dioxolan-2-yl)-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone has a molecular weight of 241.29 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone is sourced from PubChem (CID 171937692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).