1-cyclohexa-1,3-dien-1-yl-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one

C14H21N3O — CID 70334548

IUPAC1-cyclohexa-1,3-dien-1-yl-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCN1CCC2(CC1)C(=O)NCN2C1=CC=CCC1
InChIInChI=1S/C14H21N3O/c1-16-9-7-14(8-10-16)13(18)15-11-17(14)12-5-3-2-4-6-12/h2-3,5H,4,6-11H2,1H3,(H,15,18)
InChIKeyCJNZWQDCYSONPX-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.07
Rot. Bonds1

About 1-cyclohexa-1,3-dien-1-yl-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one

1-cyclohexa-1,3-dien-1-yl-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 70334548) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID70334548
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-cyclohexa-1,3-dien-1-yl-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCN1CCC2(CC1)C(=O)NCN2C1=CC=CCC1
InChIInChI=1S/C14H21N3O/c1-16-9-7-14(8-10-16)13(18)15-11-17(14)12-5-3-2-4-6-12/h2-3,5H,4,6-11H2,1H3,(H,15,18)
InChIKeyCJNZWQDCYSONPX-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexa-1,3-dien-1-yl-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 70334548) is 1-cyclohexa-1,3-dien-1-yl-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one is CN1CCC2(CC1)C(=O)NCN2C1=CC=CCC1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is CJNZWQDCYSONPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16-9-7-14(8-10-16)13(18)15-11-17(14)12-5-3-2-4-6-12/h2-3,5H,4,6-11H2,1H3,(H,15,18).
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one?
1-cyclohexa-1,3-dien-1-yl-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 247.34 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 70334548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).