5-(2-cyanopyrrol-1-yl)pentanehydrazide

C10H14N4O — CID 114655501

IUPAC5-(2-cyanopyrrol-1-yl)pentanehydrazide
SMILESN#Cc1cccn1CCCCC(=O)NN
InChIInChI=1S/C10H14N4O/c11-8-9-4-3-7-14(9)6-2-1-5-10(15)13-12/h3-4,7H,1-2,5-6,12H2,(H,13,15)
InChIKeySFHIPJRHPVPZMO-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.52
Rot. Bonds5

About 5-(2-cyanopyrrol-1-yl)pentanehydrazide

5-(2-cyanopyrrol-1-yl)pentanehydrazide (PubChem CID 114655501) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-(2-cyanopyrrol-1-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(2-cyanopyrrol-1-yl)pentanehydrazide
PubChem CID114655501
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name5-(2-cyanopyrrol-1-yl)pentanehydrazide
SMILESN#Cc1cccn1CCCCC(=O)NN
InChIInChI=1S/C10H14N4O/c11-8-9-4-3-7-14(9)6-2-1-5-10(15)13-12/h3-4,7H,1-2,5-6,12H2,(H,13,15)
InChIKeySFHIPJRHPVPZMO-UHFFFAOYSA-N
XLogP0.52
TPSA83.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanopyrrol-1-yl)pentanehydrazide?
The IUPAC name of 5-(2-cyanopyrrol-1-yl)pentanehydrazide (CID 114655501) is 5-(2-cyanopyrrol-1-yl)pentanehydrazide.
What is the SMILES notation for 5-(2-cyanopyrrol-1-yl)pentanehydrazide?
The canonical SMILES for 5-(2-cyanopyrrol-1-yl)pentanehydrazide is N#Cc1cccn1CCCCC(=O)NN.
What is the InChIKey of 5-(2-cyanopyrrol-1-yl)pentanehydrazide?
The InChIKey is SFHIPJRHPVPZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c11-8-9-4-3-7-14(9)6-2-1-5-10(15)13-12/h3-4,7H,1-2,5-6,12H2,(H,13,15).
What are the key properties of 5-(2-cyanopyrrol-1-yl)pentanehydrazide?
5-(2-cyanopyrrol-1-yl)pentanehydrazide has a molecular weight of 206.25 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyanopyrrol-1-yl)pentanehydrazide is sourced from PubChem (CID 114655501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).