3-pyrrol-1-ylbutanehydrazide;hydrochloride

C8H14ClN3O — CID 130629139

IUPAC3-pyrrol-1-ylbutanehydrazide;hydrochloride
SMILESCC(CC(=O)NN)n1cccc1.Cl
InChIInChI=1S/C8H13N3O.ClH/c1-7(6-8(12)10-9)11-4-2-3-5-11;/h2-5,7H,6,9H2,1H3,(H,10,12);1H
InChIKeyMOJCARGFQNGILA-UHFFFAOYSA-N
MW203.67 g/mol
LogP0.85
Rot. Bonds3

About 3-pyrrol-1-ylbutanehydrazide;hydrochloride

3-pyrrol-1-ylbutanehydrazide;hydrochloride (PubChem CID 130629139) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is 3-pyrrol-1-ylbutanehydrazide;hydrochloride.

Molecular Properties

Compound Name3-pyrrol-1-ylbutanehydrazide;hydrochloride
PubChem CID130629139
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC Name3-pyrrol-1-ylbutanehydrazide;hydrochloride
SMILESCC(CC(=O)NN)n1cccc1.Cl
InChIInChI=1S/C8H13N3O.ClH/c1-7(6-8(12)10-9)11-4-2-3-5-11;/h2-5,7H,6,9H2,1H3,(H,10,12);1H
InChIKeyMOJCARGFQNGILA-UHFFFAOYSA-N
XLogP0.85
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 50.85
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-pyrrol-1-ylbutanehydrazide;hydrochloride?
The IUPAC name of 3-pyrrol-1-ylbutanehydrazide;hydrochloride (CID 130629139) is 3-pyrrol-1-ylbutanehydrazide;hydrochloride.
What is the SMILES notation for 3-pyrrol-1-ylbutanehydrazide;hydrochloride?
The canonical SMILES for 3-pyrrol-1-ylbutanehydrazide;hydrochloride is CC(CC(=O)NN)n1cccc1.Cl.
What is the InChIKey of 3-pyrrol-1-ylbutanehydrazide;hydrochloride?
The InChIKey is MOJCARGFQNGILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.ClH/c1-7(6-8(12)10-9)11-4-2-3-5-11;/h2-5,7H,6,9H2,1H3,(H,10,12);1H.
What are the key properties of 3-pyrrol-1-ylbutanehydrazide;hydrochloride?
3-pyrrol-1-ylbutanehydrazide;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-ylbutanehydrazide;hydrochloride is sourced from PubChem (CID 130629139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).