3-ethylpent-2-enehydrazide;hydrochloride

C7H15ClN2O — CID 130639644

IUPAC3-ethylpent-2-enehydrazide;hydrochloride
SMILESCCC(=CC(=O)NN)CC.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-3-6(4-2)5-7(10)9-8;/h5H,3-4,8H2,1-2H3,(H,9,10);1H
InChIKeyTTWLCNHYVHPUKI-UHFFFAOYSA-N
MW178.66 g/mol
LogP1.14
Rot. Bonds3

About 3-ethylpent-2-enehydrazide;hydrochloride

3-ethylpent-2-enehydrazide;hydrochloride (PubChem CID 130639644) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is 3-ethylpent-2-enehydrazide;hydrochloride.

Molecular Properties

Compound Name3-ethylpent-2-enehydrazide;hydrochloride
PubChem CID130639644
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Name3-ethylpent-2-enehydrazide;hydrochloride
SMILESCCC(=CC(=O)NN)CC.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-3-6(4-2)5-7(10)9-8;/h5H,3-4,8H2,1-2H3,(H,9,10);1H
InChIKeyTTWLCNHYVHPUKI-UHFFFAOYSA-N
XLogP1.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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-ethylpent-2-enehydrazide;hydrochloride?
The IUPAC name of 3-ethylpent-2-enehydrazide;hydrochloride (CID 130639644) is 3-ethylpent-2-enehydrazide;hydrochloride.
What is the SMILES notation for 3-ethylpent-2-enehydrazide;hydrochloride?
The canonical SMILES for 3-ethylpent-2-enehydrazide;hydrochloride is CCC(=CC(=O)NN)CC.Cl.
What is the InChIKey of 3-ethylpent-2-enehydrazide;hydrochloride?
The InChIKey is TTWLCNHYVHPUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c1-3-6(4-2)5-7(10)9-8;/h5H,3-4,8H2,1-2H3,(H,9,10);1H.
What are the key properties of 3-ethylpent-2-enehydrazide;hydrochloride?
3-ethylpent-2-enehydrazide;hydrochloride has a molecular weight of 178.66 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpent-2-enehydrazide;hydrochloride is sourced from PubChem (CID 130639644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).