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

C17H18N4O — CID 168660724

IUPAC4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ccc(/N=N/c3ccccc3)cc2)C1
InChIInChI=1S/C17H18N4O/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,10-12,18H2/b20-19+
InChIKeyMEUDYOAKYRISRL-FMQUCBEESA-N
MW294.36 g/mol
LogP3.41
Rot. Bonds4

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

4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one (PubChem CID 168660724) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one
PubChem CID168660724
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ccc(/N=N/c3ccccc3)cc2)C1
InChIInChI=1S/C17H18N4O/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,10-12,18H2/b20-19+
InChIKeyMEUDYOAKYRISRL-FMQUCBEESA-N
XLogP3.41
TPSA71.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one
CID 168508906
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid
CID 168691777
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide
CID 168697851
4-(aminomethyl)-1-[4-(azepan-1-yl)phenyl]pyrrolidin-2-one
CID 168660723
4-(aminomethyl)-1-dibenzofuran-2-ylpyrrolidin-2-one
CID 168660701
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
1-phenyl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672207
4-(aminomethyl)-1-(3-benzoylphenyl)pyrrolidin-2-one
CID 168661228
4-(aminomethyl)-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168661197
6-(aminomethyl)-1-phenylazepan-2-one
CID 84683954
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566
4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one
CID 168660871

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one (CID 168660724) is 4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one is NCC1CC(=O)N(c2ccc(/N=N/c3ccccc3)cc2)C1.
What is the InChIKey of 4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one?
The InChIKey is MEUDYOAKYRISRL-FMQUCBEESA-N. The full InChI is InChI=1S/C17H18N4O/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,10-12,18H2/b20-19+.
What are the key properties of 4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one?
4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one has a molecular weight of 294.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168660724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).