methyl 8-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[4.5]decane-4-carboxylate

C20H26N2O3 — CID 45203701

IUPACmethyl 8-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESC=CCN1C(=O)CC(C(=O)OC)C12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C20H26N2O3/c1-3-11-22-18(23)14-17(19(24)25-2)20(22)9-12-21(13-10-20)15-16-7-5-4-6-8-16/h3-8,17H,1,9-15H2,2H3
InChIKeyRNDPPUDJWRGSON-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.23
Rot. Bonds5

About methyl 8-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[4.5]decane-4-carboxylate

methyl 8-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 45203701) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is methyl 8-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl 8-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[4.5]decane-4-carboxylate
PubChem CID45203701
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Namemethyl 8-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESC=CCN1C(=O)CC(C(=O)OC)C12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C20H26N2O3/c1-3-11-22-18(23)14-17(19(24)25-2)20(22)9-12-21(13-10-20)15-16-7-5-4-6-8-16/h3-8,17H,1,9-15H2,2H3
InChIKeyRNDPPUDJWRGSON-UHFFFAOYSA-N
XLogP2.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 8-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[4.5]decane-4-carboxylate 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 methyl 8-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl 8-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 45203701) is methyl 8-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl 8-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl 8-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[4.5]decane-4-carboxylate is C=CCN1C(=O)CC(C(=O)OC)C12CCN(Cc1ccccc1)CC2.
What is the InChIKey of methyl 8-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[4.5]decane-4-carboxylate?
The InChIKey is RNDPPUDJWRGSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-11-22-18(23)14-17(19(24)25-2)20(22)9-12-21(13-10-20)15-16-7-5-4-6-8-16/h3-8,17H,1,9-15H2,2H3.
What are the key properties of methyl 8-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[4.5]decane-4-carboxylate?
methyl 8-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 45203701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).