N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-3-methoxypropanehydrazide

C15H16N4O2 — CID 42600461

IUPACN'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-3-methoxypropanehydrazide
SMILESCOCCC(=O)NNc1[nH]c(-c2ccccc2)cc1C#N
InChIInChI=1S/C15H16N4O2/c1-21-8-7-14(20)18-19-15-12(10-16)9-13(17-15)11-5-3-2-4-6-11/h2-6,9,17,19H,7-8H2,1H3,(H,18,20)
InChIKeyIUGHEDOBETTWJD-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.03
Rot. Bonds6

About N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-3-methoxypropanehydrazide

N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-3-methoxypropanehydrazide (PubChem CID 42600461) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-3-methoxypropanehydrazide.

Molecular Properties

Compound NameN'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-3-methoxypropanehydrazide
PubChem CID42600461
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-3-methoxypropanehydrazide
SMILESCOCCC(=O)NNc1[nH]c(-c2ccccc2)cc1C#N
InChIInChI=1S/C15H16N4O2/c1-21-8-7-14(20)18-19-15-12(10-16)9-13(17-15)11-5-3-2-4-6-11/h2-6,9,17,19H,7-8H2,1H3,(H,18,20)
InChIKeyIUGHEDOBETTWJD-UHFFFAOYSA-N
XLogP2.03
TPSA89.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.03
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 N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-3-methoxypropanehydrazide?
The IUPAC name of N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-3-methoxypropanehydrazide (CID 42600461) is N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-3-methoxypropanehydrazide.
What is the SMILES notation for N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-3-methoxypropanehydrazide?
The canonical SMILES for N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-3-methoxypropanehydrazide is COCCC(=O)NNc1[nH]c(-c2ccccc2)cc1C#N.
What is the InChIKey of N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-3-methoxypropanehydrazide?
The InChIKey is IUGHEDOBETTWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-21-8-7-14(20)18-19-15-12(10-16)9-13(17-15)11-5-3-2-4-6-11/h2-6,9,17,19H,7-8H2,1H3,(H,18,20).
What are the key properties of N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-3-methoxypropanehydrazide?
N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-3-methoxypropanehydrazide has a molecular weight of 284.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-3-methoxypropanehydrazide is sourced from PubChem (CID 42600461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).