3-phenyl-2-pyrrol-1-ylpropanehydrazide

C13H15N3O — CID 11842321

IUPAC3-phenyl-2-pyrrol-1-ylpropanehydrazide
SMILESNNC(=O)C(Cc1ccccc1)n1cccc1
InChIInChI=1S/C13H15N3O/c14-15-13(17)12(16-8-4-5-9-16)10-11-6-2-1-3-7-11/h1-9,12H,10,14H2,(H,15,17)
InChIKeyKZMMVSGDQPMBJL-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.26
Rot. Bonds4

About 3-phenyl-2-pyrrol-1-ylpropanehydrazide

3-phenyl-2-pyrrol-1-ylpropanehydrazide (PubChem CID 11842321) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-phenyl-2-pyrrol-1-ylpropanehydrazide.

Molecular Properties

Compound Name3-phenyl-2-pyrrol-1-ylpropanehydrazide
PubChem CID11842321
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-phenyl-2-pyrrol-1-ylpropanehydrazide
SMILESNNC(=O)C(Cc1ccccc1)n1cccc1
InChIInChI=1S/C13H15N3O/c14-15-13(17)12(16-8-4-5-9-16)10-11-6-2-1-3-7-11/h1-9,12H,10,14H2,(H,15,17)
InChIKeyKZMMVSGDQPMBJL-UHFFFAOYSA-N
XLogP1.26
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-phenyl-N-propan-2-yl-2-pyrrol-1-ylpropanamide
CID 17231122
N-(5-chloro-2-pyridinyl)-3-phenyl-2-pyrrol-1-ylpropanamide
CID 121239964
N-(5-bromo-1,3-thiazol-2-yl)-3-phenyl-2-pyrrol-1-ylpropanamide
CID 5308071
(2R)-N-(2-morpholin-4-ylethyl)-3-phenyl-2-pyrrol-1-ylpropanamide
CID 110205726
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-phenyl-2-pyrrol-1-ylpropanamide
CID 124878513
N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 2802422
N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)propanamide
CID 4268964
[1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 122529674
ethyl 3-(4-hydroxyphenyl)-2-pyrrol-1-ylpropanoate
CID 18625802
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
methyl (2S)-2-[4-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]piperazin-1-yl]-3-phenylpropanoate
CID 11090885
N-(2-phenylethyl)-2-pyrrol-1-ylpropanamide
CID 17086628

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-pyrrol-1-ylpropanehydrazide?
The IUPAC name of 3-phenyl-2-pyrrol-1-ylpropanehydrazide (CID 11842321) is 3-phenyl-2-pyrrol-1-ylpropanehydrazide.
What is the SMILES notation for 3-phenyl-2-pyrrol-1-ylpropanehydrazide?
The canonical SMILES for 3-phenyl-2-pyrrol-1-ylpropanehydrazide is NNC(=O)C(Cc1ccccc1)n1cccc1.
What is the InChIKey of 3-phenyl-2-pyrrol-1-ylpropanehydrazide?
The InChIKey is KZMMVSGDQPMBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-15-13(17)12(16-8-4-5-9-16)10-11-6-2-1-3-7-11/h1-9,12H,10,14H2,(H,15,17).
What are the key properties of 3-phenyl-2-pyrrol-1-ylpropanehydrazide?
3-phenyl-2-pyrrol-1-ylpropanehydrazide has a molecular weight of 229.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-pyrrol-1-ylpropanehydrazide is sourced from PubChem (CID 11842321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).