(2S,5E)-5-ethylidene-1-(3-hydroxy-2-methylpropanoyl)-N'-phenylpyrrolidine-2-carbohydrazide

C17H23N3O3 — CID 126712457

IUPAC(2S,5E)-5-ethylidene-1-(3-hydroxy-2-methylpropanoyl)-N'-phenylpyrrolidine-2-carbohydrazide
SMILESC/C=C1\CC[C@@H](C(=O)NNc2ccccc2)N1C(=O)C(C)CO
InChIInChI=1S/C17H23N3O3/c1-3-14-9-10-15(20(14)17(23)12(2)11-21)16(22)19-18-13-7-5-4-6-8-13/h3-8,12,15,18,21H,9-11H2,1-2H3,(H,19,22)/b14-3+/t12?,15-/m0/s1
InChIKeyVNSWVTMQFUNEAU-PLOKVBQHSA-N
MW317.39 g/mol
LogP1.65
Rot. Bonds5

About (2S,5E)-5-ethylidene-1-(3-hydroxy-2-methylpropanoyl)-N'-phenylpyrrolidine-2-carbohydrazide

(2S,5E)-5-ethylidene-1-(3-hydroxy-2-methylpropanoyl)-N'-phenylpyrrolidine-2-carbohydrazide (PubChem CID 126712457) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2S,5E)-5-ethylidene-1-(3-hydroxy-2-methylpropanoyl)-N'-phenylpyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name(2S,5E)-5-ethylidene-1-(3-hydroxy-2-methylpropanoyl)-N'-phenylpyrrolidine-2-carbohydrazide
PubChem CID126712457
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(2S,5E)-5-ethylidene-1-(3-hydroxy-2-methylpropanoyl)-N'-phenylpyrrolidine-2-carbohydrazide
SMILESC/C=C1\CC[C@@H](C(=O)NNc2ccccc2)N1C(=O)C(C)CO
InChIInChI=1S/C17H23N3O3/c1-3-14-9-10-15(20(14)17(23)12(2)11-21)16(22)19-18-13-7-5-4-6-8-13/h3-8,12,15,18,21H,9-11H2,1-2H3,(H,19,22)/b14-3+/t12?,15-/m0/s1
InChIKeyVNSWVTMQFUNEAU-PLOKVBQHSA-N
XLogP1.65
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5E)-5-ethylidene-1-(3-hydroxy-2-methylpropanoyl)-N'-phenylpyrrolidine-2-carbohydrazide?
The IUPAC name of (2S,5E)-5-ethylidene-1-(3-hydroxy-2-methylpropanoyl)-N'-phenylpyrrolidine-2-carbohydrazide (CID 126712457) is (2S,5E)-5-ethylidene-1-(3-hydroxy-2-methylpropanoyl)-N'-phenylpyrrolidine-2-carbohydrazide.
What is the SMILES notation for (2S,5E)-5-ethylidene-1-(3-hydroxy-2-methylpropanoyl)-N'-phenylpyrrolidine-2-carbohydrazide?
The canonical SMILES for (2S,5E)-5-ethylidene-1-(3-hydroxy-2-methylpropanoyl)-N'-phenylpyrrolidine-2-carbohydrazide is C/C=C1\CC[C@@H](C(=O)NNc2ccccc2)N1C(=O)C(C)CO.
What is the InChIKey of (2S,5E)-5-ethylidene-1-(3-hydroxy-2-methylpropanoyl)-N'-phenylpyrrolidine-2-carbohydrazide?
The InChIKey is VNSWVTMQFUNEAU-PLOKVBQHSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-14-9-10-15(20(14)17(23)12(2)11-21)16(22)19-18-13-7-5-4-6-8-13/h3-8,12,15,18,21H,9-11H2,1-2H3,(H,19,22)/b14-3+/t12?,15-/m0/s1.
What are the key properties of (2S,5E)-5-ethylidene-1-(3-hydroxy-2-methylpropanoyl)-N'-phenylpyrrolidine-2-carbohydrazide?
(2S,5E)-5-ethylidene-1-(3-hydroxy-2-methylpropanoyl)-N'-phenylpyrrolidine-2-carbohydrazide has a molecular weight of 317.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5E)-5-ethylidene-1-(3-hydroxy-2-methylpropanoyl)-N'-phenylpyrrolidine-2-carbohydrazide is sourced from PubChem (CID 126712457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).