tert-butyl 4-(hydrazinecarbonyl)-2-phenylpyrrolidine-1-carboxylate

C16H23N3O3 — CID 53408006

IUPACtert-butyl 4-(hydrazinecarbonyl)-2-phenylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(=O)NN)CC1c1ccccc1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)19-10-12(14(20)18-17)9-13(19)11-7-5-4-6-8-11/h4-8,12-13H,9-10,17H2,1-3H3,(H,18,20)
InChIKeyOGXXQNCHURBYLX-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.97
Rot. Bonds2

About tert-butyl 4-(hydrazinecarbonyl)-2-phenylpyrrolidine-1-carboxylate

tert-butyl 4-(hydrazinecarbonyl)-2-phenylpyrrolidine-1-carboxylate (PubChem CID 53408006) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is tert-butyl 4-(hydrazinecarbonyl)-2-phenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(hydrazinecarbonyl)-2-phenylpyrrolidine-1-carboxylate
PubChem CID53408006
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Nametert-butyl 4-(hydrazinecarbonyl)-2-phenylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(=O)NN)CC1c1ccccc1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)19-10-12(14(20)18-17)9-13(19)11-7-5-4-6-8-11/h4-8,12-13H,9-10,17H2,1-3H3,(H,18,20)
InChIKeyOGXXQNCHURBYLX-UHFFFAOYSA-N
XLogP1.97
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S)-2-phenylaziridine-1-carboxylate
CID 11769967
tert-butyl 4-methyl-2-phenylpyrrolidine-1-carboxylate
CID 170718600
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylpiperidine-4-carboxylic acid
CID 45073944
tert-butyl (2S,4R)-4-acetyl-2-phenylpiperidine-1-carboxylate
CID 170718409
tert-butyl (2S,4R)-4-cyano-2-phenylpyrrolidine-1-carboxylate
CID 169170713
tert-butyl (2R,4R)-4-isocyano-2-phenylpyrrolidine-1-carboxylate
CID 176768469
tert-butyl (2S,4R)-4-(2-hydroxypropan-2-yl)-2-phenylpiperidine-1-carboxylate
CID 170718441
tert-butyl (2R)-4-(benzylcarbamoyl)-2-methylpyrrolidine-1-carboxylate
CID 67435670
tert-butyl 2-carbamoyl-4-(phenylcarbamoyl)pyrrolidine-1-carboxylate
CID 169189319
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
tert-butyl (2S,5S)-5-formyl-2-phenylpiperidine-1-carboxylate
CID 124582841
tert-butyl 2-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 85431629

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(hydrazinecarbonyl)-2-phenylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(hydrazinecarbonyl)-2-phenylpyrrolidine-1-carboxylate (CID 53408006) is tert-butyl 4-(hydrazinecarbonyl)-2-phenylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(hydrazinecarbonyl)-2-phenylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(hydrazinecarbonyl)-2-phenylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C(=O)NN)CC1c1ccccc1.
What is the InChIKey of tert-butyl 4-(hydrazinecarbonyl)-2-phenylpyrrolidine-1-carboxylate?
The InChIKey is OGXXQNCHURBYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)19-10-12(14(20)18-17)9-13(19)11-7-5-4-6-8-11/h4-8,12-13H,9-10,17H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl 4-(hydrazinecarbonyl)-2-phenylpyrrolidine-1-carboxylate?
tert-butyl 4-(hydrazinecarbonyl)-2-phenylpyrrolidine-1-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(hydrazinecarbonyl)-2-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 53408006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).