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

C9H13N3O3 — CID 71607325

IUPAC5-(2,5-dioxopyrrol-1-yl)pentanehydrazide
SMILESNNC(=O)CCCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H13N3O3/c10-11-7(13)3-1-2-6-12-8(14)4-5-9(12)15/h4-5H,1-3,6,10H2,(H,11,13)
InChIKeyHGDLVVAFLRBLKJ-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.93
Rot. Bonds5

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

5-(2,5-dioxopyrrol-1-yl)pentanehydrazide (PubChem CID 71607325) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-(2,5-dioxopyrrol-1-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(2,5-dioxopyrrol-1-yl)pentanehydrazide
PubChem CID71607325
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name5-(2,5-dioxopyrrol-1-yl)pentanehydrazide
SMILESNNC(=O)CCCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H13N3O3/c10-11-7(13)3-1-2-6-12-8(14)4-5-9(12)15/h4-5H,1-3,6,10H2,(H,11,13)
InChIKeyHGDLVVAFLRBLKJ-UHFFFAOYSA-N
XLogP-0.93
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.93
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dioxopyrrol-1-yl)pentanehydrazide?
The IUPAC name of 5-(2,5-dioxopyrrol-1-yl)pentanehydrazide (CID 71607325) is 5-(2,5-dioxopyrrol-1-yl)pentanehydrazide.
What is the SMILES notation for 5-(2,5-dioxopyrrol-1-yl)pentanehydrazide?
The canonical SMILES for 5-(2,5-dioxopyrrol-1-yl)pentanehydrazide is NNC(=O)CCCCN1C(=O)C=CC1=O.
What is the InChIKey of 5-(2,5-dioxopyrrol-1-yl)pentanehydrazide?
The InChIKey is HGDLVVAFLRBLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c10-11-7(13)3-1-2-6-12-8(14)4-5-9(12)15/h4-5H,1-3,6,10H2,(H,11,13).
What are the key properties of 5-(2,5-dioxopyrrol-1-yl)pentanehydrazide?
5-(2,5-dioxopyrrol-1-yl)pentanehydrazide has a molecular weight of 211.22 g/mol, XLogP of -0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dioxopyrrol-1-yl)pentanehydrazide is sourced from PubChem (CID 71607325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).