N'-[2-(4-cyanophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide

C15H14N4O3 — CID 25163391

IUPACN'-[2-(4-cyanophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
SMILESCn1cccc1C(=O)NNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C15H14N4O3/c1-19-8-2-3-13(19)15(21)18-17-14(20)10-22-12-6-4-11(9-16)5-7-12/h2-8H,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyXAAAXWMTCQLPFU-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.74
Rot. Bonds4

About N'-[2-(4-cyanophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide

N'-[2-(4-cyanophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide (PubChem CID 25163391) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N'-[2-(4-cyanophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-cyanophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
PubChem CID25163391
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN'-[2-(4-cyanophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
SMILESCn1cccc1C(=O)NNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C15H14N4O3/c1-19-8-2-3-13(19)15(21)18-17-14(20)10-22-12-6-4-11(9-16)5-7-12/h2-8H,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyXAAAXWMTCQLPFU-UHFFFAOYSA-N
XLogP0.74
TPSA96.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N'-[2-(4-cyanophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of N'-[2-(4-cyanophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide (CID 25163391) is N'-[2-(4-cyanophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-cyanophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-cyanophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide is Cn1cccc1C(=O)NNC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of N'-[2-(4-cyanophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide?
The InChIKey is XAAAXWMTCQLPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-19-8-2-3-13(19)15(21)18-17-14(20)10-22-12-6-4-11(9-16)5-7-12/h2-8H,10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-[2-(4-cyanophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide?
N'-[2-(4-cyanophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide has a molecular weight of 298.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-cyanophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 25163391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).