4-(chloromethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one

C17H16ClN3O — CID 168508906

IUPAC4-(chloromethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C17H16ClN3O/c18-11-13-10-17(22)21(12-13)16-8-6-15(7-9-16)20-19-14-4-2-1-3-5-14/h1-9,13H,10-12H2/b20-19+
InChIKeyODPXEACMDIGBMC-FMQUCBEESA-N
MW313.79 g/mol
LogP4.69
Rot. Bonds4

About 4-(chloromethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one

4-(chloromethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one (PubChem CID 168508906) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one
PubChem CID168508906
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name4-(chloromethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C17H16ClN3O/c18-11-13-10-17(22)21(12-13)16-8-6-15(7-9-16)20-19-14-4-2-1-3-5-14/h1-9,13H,10-12H2/b20-19+
InChIKeyODPXEACMDIGBMC-FMQUCBEESA-N
XLogP4.69
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one
CID 168660724
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid
CID 168691777
4-(chloromethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one
CID 168508921
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide
CID 168697851
4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168508820
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
4-(chloromethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidin-2-one
CID 168508919
4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one
CID 168508786
N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 168507034
1-phenyl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672207
methyl 4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168507353
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one (CID 168508906) is 4-(chloromethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one is O=C1CC(CCl)CN1c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 4-(chloromethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one?
The InChIKey is ODPXEACMDIGBMC-FMQUCBEESA-N. The full InChI is InChI=1S/C17H16ClN3O/c18-11-13-10-17(22)21(12-13)16-8-6-15(7-9-16)20-19-14-4-2-1-3-5-14/h1-9,13H,10-12H2/b20-19+.
What are the key properties of 4-(chloromethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one?
4-(chloromethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one has a molecular weight of 313.79 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168508906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).