1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one

C15H23N3O — CID 141234187

IUPAC1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC1(C)C=CC=C(N2CNC(=O)C23CCNCC3)C1
InChIInChI=1S/C15H23N3O/c1-14(2)5-3-4-12(10-14)18-11-17-13(19)15(18)6-8-16-9-7-15/h3-5,16H,6-11H2,1-2H3,(H,17,19)
InChIKeyKUMOGDFZPCAVBJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.37
Rot. Bonds1

About 1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one

1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 141234187) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID141234187
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC1(C)C=CC=C(N2CNC(=O)C23CCNCC3)C1
InChIInChI=1S/C15H23N3O/c1-14(2)5-3-4-12(10-14)18-11-17-13(19)15(18)6-8-16-9-7-15/h3-5,16H,6-11H2,1-2H3,(H,17,19)
InChIKeyKUMOGDFZPCAVBJ-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 141234187) is 1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one is CC1(C)C=CC=C(N2CNC(=O)C23CCNCC3)C1.
What is the InChIKey of 1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is KUMOGDFZPCAVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-14(2)5-3-4-12(10-14)18-11-17-13(19)15(18)6-8-16-9-7-15/h3-5,16H,6-11H2,1-2H3,(H,17,19).
What are the key properties of 1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one?
1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 261.37 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 141234187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).