8-benzyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one

C17H23N3O — CID 10850720

IUPAC8-benzyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one
SMILESCCCN1C=NC(=O)C12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C17H23N3O/c1-2-10-20-14-18-16(21)17(20)8-11-19(12-9-17)13-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3
InChIKeyPMNDEXAHXGBEPD-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.30
Rot. Bonds4

About 8-benzyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one

8-benzyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one (PubChem CID 10850720) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 8-benzyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one.

Molecular Properties

Compound Name8-benzyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one
PubChem CID10850720
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name8-benzyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one
SMILESCCCN1C=NC(=O)C12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C17H23N3O/c1-2-10-20-14-18-16(21)17(20)8-11-19(12-9-17)13-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3
InChIKeyPMNDEXAHXGBEPD-UHFFFAOYSA-N
XLogP2.30
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one?
The IUPAC name of 8-benzyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one (CID 10850720) is 8-benzyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one.
What is the SMILES notation for 8-benzyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one?
The canonical SMILES for 8-benzyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one is CCCN1C=NC(=O)C12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 8-benzyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one?
The InChIKey is PMNDEXAHXGBEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-10-20-14-18-16(21)17(20)8-11-19(12-9-17)13-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3.
What are the key properties of 8-benzyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one?
8-benzyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one has a molecular weight of 285.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-en-4-one is sourced from PubChem (CID 10850720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).