3-(1,3-dioxolan-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one

C14H23NO3 — CID 171950750

IUPAC3-(1,3-dioxolan-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESCN1C2CCC1CC(C(=O)CCC1OCCO1)C2
InChIInChI=1S/C14H23NO3/c1-15-11-2-3-12(15)9-10(8-11)13(16)4-5-14-17-6-7-18-14/h10-12,14H,2-9H2,1H3
InChIKeyUQAPSKZHUQNYGX-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.58
Rot. Bonds4

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

3-(1,3-dioxolan-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one (PubChem CID 171950750) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
PubChem CID171950750
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-(1,3-dioxolan-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESCN1C2CCC1CC(C(=O)CCC1OCCO1)C2
InChIInChI=1S/C14H23NO3/c1-15-11-2-3-12(15)9-10(8-11)13(16)4-5-14-17-6-7-18-14/h10-12,14H,2-9H2,1H3
InChIKeyUQAPSKZHUQNYGX-UHFFFAOYSA-N
XLogP1.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(1,3-dioxolan-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one with MolForge

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Related Compounds

3-cyclopentyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 114191946
3-(1,3-dioxolan-2-yl)-1-(8-thiabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 171950756
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 112680633
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-methylsulfonylbutan-1-one
CID 112680687
3-(1,3-dioxan-2-yl)-1-(8-thiabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 171944269
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-trimethylsilylbut-3-yn-1-one
CID 171950108
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(oxan-4-yl)methanone
CID 112680674
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanone
CID 171941088
5-methoxy-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pentan-1-one
CID 171937828
4,4-dimethyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one
CID 171937984
3-(3-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 171948236
3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-oxopropanenitrile
CID 171938824

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The IUPAC name of 3-(1,3-dioxolan-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one (CID 171950750) is 3-(1,3-dioxolan-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one is CN1C2CCC1CC(C(=O)CCC1OCCO1)C2.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The InChIKey is UQAPSKZHUQNYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-15-11-2-3-12(15)9-10(8-11)13(16)4-5-14-17-6-7-18-14/h10-12,14H,2-9H2,1H3.
What are the key properties of 3-(1,3-dioxolan-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
3-(1,3-dioxolan-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one has a molecular weight of 253.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one is sourced from PubChem (CID 171950750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).