1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-dioxolan-2-yl)ethanone

C12H19NO3 — CID 171937673

IUPAC1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-dioxolan-2-yl)ethanone
SMILESO=C(CC1OCCO1)C1CC2CCC(C1)N2
InChIInChI=1S/C12H19NO3/c14-11(7-12-15-3-4-16-12)8-5-9-1-2-10(6-8)13-9/h8-10,12-13H,1-7H2
InChIKeyDWQCLZJGXDTSQS-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.85
Rot. Bonds3

About 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-dioxolan-2-yl)ethanone

1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-dioxolan-2-yl)ethanone (PubChem CID 171937673) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-dioxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-dioxolan-2-yl)ethanone
PubChem CID171937673
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-dioxolan-2-yl)ethanone
SMILESO=C(CC1OCCO1)C1CC2CCC(C1)N2
InChIInChI=1S/C12H19NO3/c14-11(7-12-15-3-4-16-12)8-5-9-1-2-10(6-8)13-9/h8-10,12-13H,1-7H2
InChIKeyDWQCLZJGXDTSQS-UHFFFAOYSA-N
XLogP0.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-dioxolan-2-yl)-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
CID 171937692
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
1-(8-azabicyclo[3.2.1]octan-3-yl)undecan-1-one
CID 171941682
5-(8-azabicyclo[3.2.1]octan-3-yl)-5-oxopentanenitrile
CID 171938423
tert-butyl 3-[2-(1,3-dioxolan-2-yl)acetyl]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171937686
1-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanone
CID 171945188
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-methyloxetan-3-yl)ethanone
CID 171937634
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
31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane
CID 90736283
1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one
CID 171937877

Frequently Asked Questions

What is the IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-dioxolan-2-yl)ethanone?
The IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-dioxolan-2-yl)ethanone (CID 171937673) is 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-dioxolan-2-yl)ethanone.
What is the SMILES notation for 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-dioxolan-2-yl)ethanone?
The canonical SMILES for 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-dioxolan-2-yl)ethanone is O=C(CC1OCCO1)C1CC2CCC(C1)N2.
What is the InChIKey of 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-dioxolan-2-yl)ethanone?
The InChIKey is DWQCLZJGXDTSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-11(7-12-15-3-4-16-12)8-5-9-1-2-10(6-8)13-9/h8-10,12-13H,1-7H2.
What are the key properties of 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-dioxolan-2-yl)ethanone?
1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-dioxolan-2-yl)ethanone has a molecular weight of 225.29 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-dioxolan-2-yl)ethanone is sourced from PubChem (CID 171937673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).