methyl 1-(4-phenyldiazenylbenzoyl)pyrrolidine-2-carboxylate

C19H19N3O3 — CID 610761

IUPACmethyl 1-(4-phenyldiazenylbenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C19H19N3O3/c1-25-19(24)17-8-5-13-22(17)18(23)14-9-11-16(12-10-14)21-20-15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13H2,1H3/b21-20+
InChIKeyNOLWBKDVRJXZJR-QZQOTICOSA-N
MW337.38 g/mol
LogP3.88
Rot. Bonds4

About methyl 1-(4-phenyldiazenylbenzoyl)pyrrolidine-2-carboxylate

methyl 1-(4-phenyldiazenylbenzoyl)pyrrolidine-2-carboxylate (PubChem CID 610761) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 1-(4-phenyldiazenylbenzoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-phenyldiazenylbenzoyl)pyrrolidine-2-carboxylate
PubChem CID610761
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Namemethyl 1-(4-phenyldiazenylbenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C19H19N3O3/c1-25-19(24)17-8-5-13-22(17)18(23)14-9-11-16(12-10-14)21-20-15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13H2,1H3/b21-20+
InChIKeyNOLWBKDVRJXZJR-QZQOTICOSA-N
XLogP3.88
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
CID 833629
methyl (2S)-1-[3-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]pyrrolidine-2-carboxylate
CID 15538845
methyl (2S)-1-(4-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylate
CID 908743
methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate
CID 115535703
(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
CID 11345650
tert-butyl (2S)-1-benzoylpyrrolidine-2-carboxylate
CID 81004052
tert-butyl (2R)-1-benzoylpyrrolidine-2-carboxylate
CID 81002194
methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate
CID 115280090
methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate
CID 25465302
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
methyl 1-[4-(3-hydroxyprop-1-ynyl)benzoyl]pyrrolidine-2-carboxylate
CID 60816559

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-phenyldiazenylbenzoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(4-phenyldiazenylbenzoyl)pyrrolidine-2-carboxylate (CID 610761) is methyl 1-(4-phenyldiazenylbenzoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(4-phenyldiazenylbenzoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(4-phenyldiazenylbenzoyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of methyl 1-(4-phenyldiazenylbenzoyl)pyrrolidine-2-carboxylate?
The InChIKey is NOLWBKDVRJXZJR-QZQOTICOSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-25-19(24)17-8-5-13-22(17)18(23)14-9-11-16(12-10-14)21-20-15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13H2,1H3/b21-20+.
What are the key properties of methyl 1-(4-phenyldiazenylbenzoyl)pyrrolidine-2-carboxylate?
methyl 1-(4-phenyldiazenylbenzoyl)pyrrolidine-2-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-phenyldiazenylbenzoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 610761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).