3-(5-oxo-2H-pyrrol-1-yl)propanehydrazide

C7H11N3O2 — CID 166942003

IUPAC3-(5-oxo-2H-pyrrol-1-yl)propanehydrazide
SMILESNNC(=O)CCN1CC=CC1=O
InChIInChI=1S/C7H11N3O2/c8-9-6(11)3-5-10-4-1-2-7(10)12/h1-2H,3-5,8H2,(H,9,11)
InChIKeyDTXAKFFBAVAFLH-UHFFFAOYSA-N
MW169.18 g/mol
LogP-1.24
Rot. Bonds3

About 3-(5-oxo-2H-pyrrol-1-yl)propanehydrazide

3-(5-oxo-2H-pyrrol-1-yl)propanehydrazide (PubChem CID 166942003) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-(5-oxo-2H-pyrrol-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(5-oxo-2H-pyrrol-1-yl)propanehydrazide
PubChem CID166942003
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name3-(5-oxo-2H-pyrrol-1-yl)propanehydrazide
SMILESNNC(=O)CCN1CC=CC1=O
InChIInChI=1S/C7H11N3O2/c8-9-6(11)3-5-10-4-1-2-7(10)12/h1-2H,3-5,8H2,(H,9,11)
InChIKeyDTXAKFFBAVAFLH-UHFFFAOYSA-N
XLogP-1.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.24
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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Frequently Asked Questions

What is the IUPAC name of 3-(5-oxo-2H-pyrrol-1-yl)propanehydrazide?
The IUPAC name of 3-(5-oxo-2H-pyrrol-1-yl)propanehydrazide (CID 166942003) is 3-(5-oxo-2H-pyrrol-1-yl)propanehydrazide.
What is the SMILES notation for 3-(5-oxo-2H-pyrrol-1-yl)propanehydrazide?
The canonical SMILES for 3-(5-oxo-2H-pyrrol-1-yl)propanehydrazide is NNC(=O)CCN1CC=CC1=O.
What is the InChIKey of 3-(5-oxo-2H-pyrrol-1-yl)propanehydrazide?
The InChIKey is DTXAKFFBAVAFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-9-6(11)3-5-10-4-1-2-7(10)12/h1-2H,3-5,8H2,(H,9,11).
What are the key properties of 3-(5-oxo-2H-pyrrol-1-yl)propanehydrazide?
3-(5-oxo-2H-pyrrol-1-yl)propanehydrazide has a molecular weight of 169.18 g/mol, XLogP of -1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxo-2H-pyrrol-1-yl)propanehydrazide is sourced from PubChem (CID 166942003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).