3-diazo-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrolidin-2-one

C18H17N3O2 — CID 167436856

IUPAC3-diazo-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrolidin-2-one
SMILESCOc1ccc(CN2CC(c3ccccc3)C(=[N+]=[N-])C2=O)cc1
InChIInChI=1S/C18H17N3O2/c1-23-15-9-7-13(8-10-15)11-21-12-16(17(20-19)18(21)22)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3
InChIKeyOJHAZIPSVZHZTC-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.49
Rot. Bonds4

About 3-diazo-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrolidin-2-one

3-diazo-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrolidin-2-one (PubChem CID 167436856) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-diazo-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-diazo-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrolidin-2-one
PubChem CID167436856
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-diazo-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrolidin-2-one
SMILESCOc1ccc(CN2CC(c3ccccc3)C(=[N+]=[N-])C2=O)cc1
InChIInChI=1S/C18H17N3O2/c1-23-15-9-7-13(8-10-15)11-21-12-16(17(20-19)18(21)22)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3
InChIKeyOJHAZIPSVZHZTC-UHFFFAOYSA-N
XLogP2.49
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

1-[(4-methoxyphenyl)methyl]-5-oxo-4-phenylpyrrolidine-3-carbaldehyde
CID 138523430
(3aS,6R,7S,7aR)-2-[(4-methoxyphenyl)methyl]-6,7-diphenyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 46178711
(3E)-1-benzyl-3-benzylidene-4-phenylpyrrolidin-2-one
CID 10521059
N-benzyl-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109695
(4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-4-phenyl-4H-pyrimidin-2-one
CID 134944587
4-(3-diazo-2-oxopropyl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydropyrazino[1,2-a]indol-1-one
CID 132524792
1-benzyl-4-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 134347577
(3R,4S)-1-benzyl-4-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 134347611
3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone
CID 132575390
(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
(4R)-4-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydropyrazino[1,2-a]indol-1-one
CID 134959095
(4S)-3-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 11689154

Frequently Asked Questions

What is the IUPAC name of 3-diazo-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrolidin-2-one?
The IUPAC name of 3-diazo-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrolidin-2-one (CID 167436856) is 3-diazo-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-diazo-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrolidin-2-one?
The canonical SMILES for 3-diazo-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrolidin-2-one is COc1ccc(CN2CC(c3ccccc3)C(=[N+]=[N-])C2=O)cc1.
What is the InChIKey of 3-diazo-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrolidin-2-one?
The InChIKey is OJHAZIPSVZHZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-15-9-7-13(8-10-15)11-21-12-16(17(20-19)18(21)22)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3.
What are the key properties of 3-diazo-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrolidin-2-one?
3-diazo-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrolidin-2-one has a molecular weight of 307.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazo-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 167436856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).