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

C14H14N4O2 — CID 42600460

IUPACN'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-2-methoxyacetohydrazide
SMILESCOCC(=O)NNc1[nH]c(-c2ccccc2)cc1C#N
InChIInChI=1S/C14H14N4O2/c1-20-9-13(19)17-18-14-11(8-15)7-12(16-14)10-5-3-2-4-6-10/h2-7,16,18H,9H2,1H3,(H,17,19)
InChIKeyKZRNGYGHAOAZBW-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.64
Rot. Bonds5

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

N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-2-methoxyacetohydrazide (PubChem CID 42600460) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-2-methoxyacetohydrazide.

Molecular Properties

Compound NameN'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-2-methoxyacetohydrazide
PubChem CID42600460
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-2-methoxyacetohydrazide
SMILESCOCC(=O)NNc1[nH]c(-c2ccccc2)cc1C#N
InChIInChI=1S/C14H14N4O2/c1-20-9-13(19)17-18-14-11(8-15)7-12(16-14)10-5-3-2-4-6-10/h2-7,16,18H,9H2,1H3,(H,17,19)
InChIKeyKZRNGYGHAOAZBW-UHFFFAOYSA-N
XLogP1.64
TPSA89.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.64
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)-2-methoxyacetohydrazide?
The IUPAC name of N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-2-methoxyacetohydrazide (CID 42600460) is N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-2-methoxyacetohydrazide.
What is the SMILES notation for N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-2-methoxyacetohydrazide?
The canonical SMILES for N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-2-methoxyacetohydrazide is COCC(=O)NNc1[nH]c(-c2ccccc2)cc1C#N.
What is the InChIKey of N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-2-methoxyacetohydrazide?
The InChIKey is KZRNGYGHAOAZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-20-9-13(19)17-18-14-11(8-15)7-12(16-14)10-5-3-2-4-6-10/h2-7,16,18H,9H2,1H3,(H,17,19).
What are the key properties of N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-2-methoxyacetohydrazide?
N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-2-methoxyacetohydrazide has a molecular weight of 270.29 g/mol, XLogP of 1.64, 5 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)-2-methoxyacetohydrazide is sourced from PubChem (CID 42600460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).