1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(1-methylcyclopropyl)ethanone

C16H27NO2 — CID 166218874

IUPAC1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(1-methylcyclopropyl)ethanone
SMILESCC1(CC(=O)N2CC(C)(C)OC3(CCCC3)C2)CC1
InChIInChI=1S/C16H27NO2/c1-14(2)11-17(13(18)10-15(3)8-9-15)12-16(19-14)6-4-5-7-16/h4-12H2,1-3H3
InChIKeyGWQSPWKGCFYRDU-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.13
Rot. Bonds2

About 1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(1-methylcyclopropyl)ethanone

1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(1-methylcyclopropyl)ethanone (PubChem CID 166218874) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(1-methylcyclopropyl)ethanone.

Molecular Properties

Compound Name1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(1-methylcyclopropyl)ethanone
PubChem CID166218874
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(1-methylcyclopropyl)ethanone
SMILESCC1(CC(=O)N2CC(C)(C)OC3(CCCC3)C2)CC1
InChIInChI=1S/C16H27NO2/c1-14(2)11-17(13(18)10-15(3)8-9-15)12-16(19-14)6-4-5-7-16/h4-12H2,1-3H3
InChIKeyGWQSPWKGCFYRDU-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(1-methylcyclopropyl)ethanone?
The IUPAC name of 1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(1-methylcyclopropyl)ethanone (CID 166218874) is 1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(1-methylcyclopropyl)ethanone.
What is the SMILES notation for 1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(1-methylcyclopropyl)ethanone?
The canonical SMILES for 1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(1-methylcyclopropyl)ethanone is CC1(CC(=O)N2CC(C)(C)OC3(CCCC3)C2)CC1.
What is the InChIKey of 1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(1-methylcyclopropyl)ethanone?
The InChIKey is GWQSPWKGCFYRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-14(2)11-17(13(18)10-15(3)8-9-15)12-16(19-14)6-4-5-7-16/h4-12H2,1-3H3.
What are the key properties of 1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(1-methylcyclopropyl)ethanone?
1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(1-methylcyclopropyl)ethanone has a molecular weight of 265.40 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(1-methylcyclopropyl)ethanone is sourced from PubChem (CID 166218874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).