ethane;8-methyl-2,8-diazaspiro[4.5]decan-7-one

C13H28N2O — CID 145006494

IUPACethane;8-methyl-2,8-diazaspiro[4.5]decan-7-one
SMILESCC.CC.CN1CCC2(CCNC2)CC1=O
InChIInChI=1S/C9H16N2O.2C2H6/c1-11-5-3-9(6-8(11)12)2-4-10-7-9;2*1-2/h10H,2-7H2,1H3;2*1-2H3
InChIKeyFSEMNOQQHXPDTG-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.27
Rot. Bonds

About ethane;8-methyl-2,8-diazaspiro[4.5]decan-7-one

ethane;8-methyl-2,8-diazaspiro[4.5]decan-7-one (PubChem CID 145006494) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;8-methyl-2,8-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Nameethane;8-methyl-2,8-diazaspiro[4.5]decan-7-one
PubChem CID145006494
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Nameethane;8-methyl-2,8-diazaspiro[4.5]decan-7-one
SMILESCC.CC.CN1CCC2(CCNC2)CC1=O
InChIInChI=1S/C9H16N2O.2C2H6/c1-11-5-3-9(6-8(11)12)2-4-10-7-9;2*1-2/h10H,2-7H2,1H3;2*1-2H3
InChIKeyFSEMNOQQHXPDTG-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 166077351
ethane;1,4,4-trimethylpiperidin-2-one
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ethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one
CID 144669099
(5R)-2-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124537264
9-methyl-3-(2-sulfanylethyl)-3,9-diazaspiro[5.5]undecan-10-one
CID 170581664
2,8-diazaspiro[4.5]decane;ethane
CID 143048064
2,7-diazaspiro[3.4]octane;ethane
CID 143687523
2,7-diazaspiro[3.4]octane;ethane
CID 171068778
potassium;2,8-diazaspiro[4.5]decan-8-ylmethanone;ethane
CID 164876170
7-methyl-2,7-diazaspiro[3.5]nonane-3,6-dione
CID 139382671
7,9-dimethoxy-1-methylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]
CID 82626405
3-ethyl-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 20622599

Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-2,8-diazaspiro[4.5]decan-7-one?
The IUPAC name of ethane;8-methyl-2,8-diazaspiro[4.5]decan-7-one (CID 145006494) is ethane;8-methyl-2,8-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for ethane;8-methyl-2,8-diazaspiro[4.5]decan-7-one?
The canonical SMILES for ethane;8-methyl-2,8-diazaspiro[4.5]decan-7-one is CC.CC.CN1CCC2(CCNC2)CC1=O.
What is the InChIKey of ethane;8-methyl-2,8-diazaspiro[4.5]decan-7-one?
The InChIKey is FSEMNOQQHXPDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.2C2H6/c1-11-5-3-9(6-8(11)12)2-4-10-7-9;2*1-2/h10H,2-7H2,1H3;2*1-2H3.
What are the key properties of ethane;8-methyl-2,8-diazaspiro[4.5]decan-7-one?
ethane;8-methyl-2,8-diazaspiro[4.5]decan-7-one has a molecular weight of 228.38 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-2,8-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 145006494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).