2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decane-1,8-dione

C16H21NO3 — CID 118234496

IUPAC2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decane-1,8-dione
SMILESCC1=C(N2CCC3(CCC(=O)CC3)C2=O)CCCC1=O
InChIInChI=1S/C16H21NO3/c1-11-13(3-2-4-14(11)19)17-10-9-16(15(17)20)7-5-12(18)6-8-16/h2-10H2,1H3
InChIKeyTZVKDQDWWNYPNR-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.38
Rot. Bonds1

About 2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decane-1,8-dione

2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decane-1,8-dione (PubChem CID 118234496) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decane-1,8-dione.

Molecular Properties

Compound Name2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decane-1,8-dione
PubChem CID118234496
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decane-1,8-dione
SMILESCC1=C(N2CCC3(CCC(=O)CC3)C2=O)CCCC1=O
InChIInChI=1S/C16H21NO3/c1-11-13(3-2-4-14(11)19)17-10-9-16(15(17)20)7-5-12(18)6-8-16/h2-10H2,1H3
InChIKeyTZVKDQDWWNYPNR-UHFFFAOYSA-N
XLogP2.38
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decane-1,8-dione?
The IUPAC name of 2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decane-1,8-dione (CID 118234496) is 2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decane-1,8-dione.
What is the SMILES notation for 2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decane-1,8-dione?
The canonical SMILES for 2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decane-1,8-dione is CC1=C(N2CCC3(CCC(=O)CC3)C2=O)CCCC1=O.
What is the InChIKey of 2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decane-1,8-dione?
The InChIKey is TZVKDQDWWNYPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-13(3-2-4-14(11)19)17-10-9-16(15(17)20)7-5-12(18)6-8-16/h2-10H2,1H3.
What are the key properties of 2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decane-1,8-dione?
2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decane-1,8-dione has a molecular weight of 275.35 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decane-1,8-dione is sourced from PubChem (CID 118234496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).