2-diazo-2-phenyl-1-pyrrolidin-1-ylethanone

C12H13N3O — CID 154708359

IUPAC2-diazo-2-phenyl-1-pyrrolidin-1-ylethanone
SMILES[N-]=[N+]=C(C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C12H13N3O/c13-14-11(10-6-2-1-3-7-10)12(16)15-8-4-5-9-15/h1-3,6-7H,4-5,8-9H2
InChIKeyGFDTWURMONGWSB-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.33
Rot. Bonds2

About 2-diazo-2-phenyl-1-pyrrolidin-1-ylethanone

2-diazo-2-phenyl-1-pyrrolidin-1-ylethanone (PubChem CID 154708359) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-diazo-2-phenyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-diazo-2-phenyl-1-pyrrolidin-1-ylethanone
PubChem CID154708359
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-diazo-2-phenyl-1-pyrrolidin-1-ylethanone
SMILES[N-]=[N+]=C(C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C12H13N3O/c13-14-11(10-6-2-1-3-7-10)12(16)15-8-4-5-9-15/h1-3,6-7H,4-5,8-9H2
InChIKeyGFDTWURMONGWSB-UHFFFAOYSA-N
XLogP1.33
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-diazo-2-phenyl-1-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethyl-6-phenyl-4,5-dihydro-2H-pyridazin-3-one
CID 814967
3-Phenyl-1-(pyrrolidin-1-yl)propan-1-one
CID 1533088
N-Methyl-N-(2-methyl-1-pyrrolidin-1-ylmethyl-propyl)-2-phenyl-acetamide
CID 15130807
N-Ethyl-N-(2-methyl-1-pyrrolidin-1-ylmethyl-propyl)-2-phenyl-acetamide
CID 44336944
3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl-
CID 142562
1-(2-Phenylacetyl)pyrrolidin-2-one
CID 13011419
N-methyl-2-phenyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide
CID 15014569
2-(4-Fluorophenyl)-1-pyrrolidin-1-ylethanone
CID 798502
2-phenyl-1-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 686393
1-(Phenylacetyl)pyrrolidine
CID 3599105
(2-Fluoro-3-phenylazirin-2-yl)-pyrrolidin-1-ylmethanone
CID 146169171
2-diazo-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 154708519

Frequently Asked Questions

What is the IUPAC name of 2-diazo-2-phenyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-diazo-2-phenyl-1-pyrrolidin-1-ylethanone (CID 154708359) is 2-diazo-2-phenyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-diazo-2-phenyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-diazo-2-phenyl-1-pyrrolidin-1-ylethanone is [N-]=[N+]=C(C(=O)N1CCCC1)c1ccccc1.
What is the InChIKey of 2-diazo-2-phenyl-1-pyrrolidin-1-ylethanone?
The InChIKey is GFDTWURMONGWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-14-11(10-6-2-1-3-7-10)12(16)15-8-4-5-9-15/h1-3,6-7H,4-5,8-9H2.
What are the key properties of 2-diazo-2-phenyl-1-pyrrolidin-1-ylethanone?
2-diazo-2-phenyl-1-pyrrolidin-1-ylethanone has a molecular weight of 215.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-2-phenyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 154708359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).