2-(dimethylamino)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C18H24N4O — CID 46983986

IUPAC2-(dimethylamino)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN(C)C1=NC2(CCN(C/C=C/c3ccccc3)CC2)C(=O)N1
InChIInChI=1S/C18H24N4O/c1-21(2)17-19-16(23)18(20-17)10-13-22(14-11-18)12-6-9-15-7-4-3-5-8-15/h3-9H,10-14H2,1-2H3,(H,19,20,23)/b9-6+
InChIKeyRLYYEVLJMZMZEI-RMKNXTFCSA-N
MW312.42 g/mol
LogP1.58
Rot. Bonds3

About 2-(dimethylamino)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-(dimethylamino)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 46983986) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(dimethylamino)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID46983986
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(dimethylamino)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN(C)C1=NC2(CCN(C/C=C/c3ccccc3)CC2)C(=O)N1
InChIInChI=1S/C18H24N4O/c1-21(2)17-19-16(23)18(20-17)10-13-22(14-11-18)12-6-9-15-7-4-3-5-8-15/h3-9H,10-14H2,1-2H3,(H,19,20,23)/b9-6+
InChIKeyRLYYEVLJMZMZEI-RMKNXTFCSA-N
XLogP1.58
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(dimethylamino)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]dec-1-en-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 2-(dimethylamino)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(dimethylamino)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 46983986) is 2-(dimethylamino)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(dimethylamino)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CN(C)C1=NC2(CCN(C/C=C/c3ccccc3)CC2)C(=O)N1.
What is the InChIKey of 2-(dimethylamino)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is RLYYEVLJMZMZEI-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21(2)17-19-16(23)18(20-17)10-13-22(14-11-18)12-6-9-15-7-4-3-5-8-15/h3-9H,10-14H2,1-2H3,(H,19,20,23)/b9-6+.
What are the key properties of 2-(dimethylamino)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(dimethylamino)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 312.42 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-[(E)-3-phenylprop-2-enyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 46983986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).