2-(2,5-dioxopyrrol-1-yl)propanehydrazide

C7H9N3O3 — CID 66836198

IUPAC2-(2,5-dioxopyrrol-1-yl)propanehydrazide
SMILESCC(C(=O)NN)N1C(=O)C=CC1=O
InChIInChI=1S/C7H9N3O3/c1-4(7(13)9-8)10-5(11)2-3-6(10)12/h2-4H,8H2,1H3,(H,9,13)
InChIKeyHNRLPFGZJKHQOT-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.71
Rot. Bonds2

About 2-(2,5-dioxopyrrol-1-yl)propanehydrazide

2-(2,5-dioxopyrrol-1-yl)propanehydrazide (PubChem CID 66836198) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)propanehydrazide
PubChem CID66836198
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-(2,5-dioxopyrrol-1-yl)propanehydrazide
SMILESCC(C(=O)NN)N1C(=O)C=CC1=O
InChIInChI=1S/C7H9N3O3/c1-4(7(13)9-8)10-5(11)2-3-6(10)12/h2-4H,8H2,1H3,(H,9,13)
InChIKeyHNRLPFGZJKHQOT-UHFFFAOYSA-N
XLogP-1.71
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)propanehydrazide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)propanehydrazide (CID 66836198) is 2-(2,5-dioxopyrrol-1-yl)propanehydrazide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)propanehydrazide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)propanehydrazide is CC(C(=O)NN)N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)propanehydrazide?
The InChIKey is HNRLPFGZJKHQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-4(7(13)9-8)10-5(11)2-3-6(10)12/h2-4H,8H2,1H3,(H,9,13).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)propanehydrazide?
2-(2,5-dioxopyrrol-1-yl)propanehydrazide has a molecular weight of 183.17 g/mol, XLogP of -1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)propanehydrazide is sourced from PubChem (CID 66836198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).