8-amino-2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one

C16H24N2O2 — CID 118234323

IUPAC8-amino-2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCC(N)CC3)C2=O)CCCC1=O
InChIInChI=1S/C16H24N2O2/c1-11-13(3-2-4-14(11)19)18-10-9-16(15(18)20)7-5-12(17)6-8-16/h12H,2-10,17H2,1H3
InChIKeyNARVCOKMXKEEBC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.13
Rot. Bonds1

About 8-amino-2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one

8-amino-2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one (PubChem CID 118234323) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 8-amino-2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-amino-2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
PubChem CID118234323
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name8-amino-2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCC(N)CC3)C2=O)CCCC1=O
InChIInChI=1S/C16H24N2O2/c1-11-13(3-2-4-14(11)19)18-10-9-16(15(18)20)7-5-12(17)6-8-16/h12H,2-10,17H2,1H3
InChIKeyNARVCOKMXKEEBC-UHFFFAOYSA-N
XLogP2.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-amino-2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-amino-2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one (CID 118234323) is 8-amino-2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-amino-2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-amino-2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one is CC1=C(N2CCC3(CCC(N)CC3)C2=O)CCCC1=O.
What is the InChIKey of 8-amino-2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is NARVCOKMXKEEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-13(3-2-4-14(11)19)18-10-9-16(15(18)20)7-5-12(17)6-8-16/h12H,2-10,17H2,1H3.
What are the key properties of 8-amino-2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one?
8-amino-2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 118234323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).