3-but-2-enyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C17H23N3O — CID 54506307

IUPAC3-but-2-enyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC=CCN1CN(c2ccccc2)C2(CCNCC2)C1=O
InChIInChI=1S/C17H23N3O/c1-2-3-13-19-14-20(15-7-5-4-6-8-15)17(16(19)21)9-11-18-12-10-17/h2-8,18H,9-14H2,1H3
InChIKeyYFYNWPVSBXAULA-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.99
Rot. Bonds3

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

3-but-2-enyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 54506307) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-but-2-enyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name3-but-2-enyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID54506307
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-but-2-enyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC=CCN1CN(c2ccccc2)C2(CCNCC2)C1=O
InChIInChI=1S/C17H23N3O/c1-2-3-13-19-14-20(15-7-5-4-6-8-15)17(16(19)21)9-11-18-12-10-17/h2-8,18H,9-14H2,1H3
InChIKeyYFYNWPVSBXAULA-UHFFFAOYSA-N
XLogP1.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 134540408
1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
CID 21493483
3-[(3-acetylphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 58046666
3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 42766451
N-[4-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)methyl]phenyl]methanesulfonamide;hydrochloride
CID 131731301
1-phenyl-3-(3-phenylmethoxypropyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
CID 86624852
2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid
CID 118417587
1-[(Z)-but-2-enyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 143469935
1-phenyl-3-[[3-(1-phenylmethoxyethenyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 126663041
bis(3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3-diazaspiro[4.5]decan-4-one);3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 91223642
8-ethyl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 20616820
2-morpholin-2-yl-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetaldehyde
CID 175126322

Frequently Asked Questions

What is the IUPAC name of 3-but-2-enyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 3-but-2-enyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 54506307) is 3-but-2-enyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 3-but-2-enyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 3-but-2-enyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is CC=CCN1CN(c2ccccc2)C2(CCNCC2)C1=O.
What is the InChIKey of 3-but-2-enyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is YFYNWPVSBXAULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-3-13-19-14-20(15-7-5-4-6-8-15)17(16(19)21)9-11-18-12-10-17/h2-8,18H,9-14H2,1H3.
What are the key properties of 3-but-2-enyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
3-but-2-enyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 285.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-enyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 54506307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).