1-[(Z)-but-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one

C11H19N3O — CID 143469935

IUPAC1-[(Z)-but-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESC/C=C\CN1CNC(=O)C12CCNCC2
InChIInChI=1S/C11H19N3O/c1-2-3-8-14-9-13-10(15)11(14)4-6-12-7-5-11/h2-3,12H,4-9H2,1H3,(H,13,15)/b3-2-
InChIKeyRMJCAHVBSICZLR-IHWYPQMZSA-N
MW209.29 g/mol
LogP0.07
Rot. Bonds2

About 1-[(Z)-but-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one

1-[(Z)-but-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 143469935) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[(Z)-but-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-[(Z)-but-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID143469935
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[(Z)-but-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESC/C=C\CN1CNC(=O)C12CCNCC2
InChIInChI=1S/C11H19N3O/c1-2-3-8-14-9-13-10(15)11(14)4-6-12-7-5-11/h2-3,12H,4-9H2,1H3,(H,13,15)/b3-2-
InChIKeyRMJCAHVBSICZLR-IHWYPQMZSA-N
XLogP0.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-[(Z)-but-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one (CID 143469935) is 1-[(Z)-but-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-[(Z)-but-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-[(Z)-but-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one is C/C=C\CN1CNC(=O)C12CCNCC2.
What is the InChIKey of 1-[(Z)-but-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is RMJCAHVBSICZLR-IHWYPQMZSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-3-8-14-9-13-10(15)11(14)4-6-12-7-5-11/h2-3,12H,4-9H2,1H3,(H,13,15)/b3-2-.
What are the key properties of 1-[(Z)-but-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one?
1-[(Z)-but-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 209.29 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 143469935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).