1-(8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl)ethanone

C9H16N2O2 — CID 146602397

IUPAC1-(8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl)ethanone
SMILESCC(=O)N1C2CCNCC1COC2
InChIInChI=1S/C9H16N2O2/c1-7(12)11-8-2-3-10-4-9(11)6-13-5-8/h8-10H,2-6H2,1H3
InChIKeyQTCVKZNXOYDIDK-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.40
Rot. Bonds

About 1-(8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl)ethanone

1-(8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl)ethanone (PubChem CID 146602397) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl)ethanone.

Molecular Properties

Compound Name1-(8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl)ethanone
PubChem CID146602397
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl)ethanone
SMILESCC(=O)N1C2CCNCC1COC2
InChIInChI=1S/C9H16N2O2/c1-7(12)11-8-2-3-10-4-9(11)6-13-5-8/h8-10H,2-6H2,1H3
InChIKeyQTCVKZNXOYDIDK-UHFFFAOYSA-N
XLogP-0.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone
CID 59172058
tert-butyl 8-oxa-3,10-diazabicyclo[4.3.1]decane-10-carboxylate
CID 67354905
azetidin-2-yl(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 164661076
3-oxa-6-azabicyclo[3.1.1]heptan-6-yl(piperidin-3-yl)methanone
CID 121201235
1-[(1R)-3,6-dioxa-8-azabicyclo[3.2.1]octan-8-yl]ethanone
CID 126556753
3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 154014382
tert-butyl (1R)-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate
CID 118214329
1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]-2-piperidin-4-ylethanone
CID 129496953
1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone
CID 13221036
1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 158227486
9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 67212442
1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-(methylamino)ethanone;hydrochloride
CID 131107513

Frequently Asked Questions

What is the IUPAC name of 1-(8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl)ethanone?
The IUPAC name of 1-(8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl)ethanone (CID 146602397) is 1-(8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl)ethanone.
What is the SMILES notation for 1-(8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl)ethanone?
The canonical SMILES for 1-(8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl)ethanone is CC(=O)N1C2CCNCC1COC2.
What is the InChIKey of 1-(8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl)ethanone?
The InChIKey is QTCVKZNXOYDIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(12)11-8-2-3-10-4-9(11)6-13-5-8/h8-10H,2-6H2,1H3.
What are the key properties of 1-(8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl)ethanone?
1-(8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl)ethanone has a molecular weight of 184.24 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl)ethanone is sourced from PubChem (CID 146602397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).