3-ethylpent-2-enehydrazide

C7H14N2O — CID 130639645

IUPAC3-ethylpent-2-enehydrazide
SMILESCCC(=CC(=O)NN)CC
InChIInChI=1S/C7H14N2O/c1-3-6(4-2)5-7(10)9-8/h5H,3-4,8H2,1-2H3,(H,9,10)
InChIKeyXBFCNBVARXCZJR-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.72
Rot. Bonds3

About 3-ethylpent-2-enehydrazide

3-ethylpent-2-enehydrazide (PubChem CID 130639645) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-ethylpent-2-enehydrazide.

Molecular Properties

Compound Name3-ethylpent-2-enehydrazide
PubChem CID130639645
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-ethylpent-2-enehydrazide
SMILESCCC(=CC(=O)NN)CC
InChIInChI=1S/C7H14N2O/c1-3-6(4-2)5-7(10)9-8/h5H,3-4,8H2,1-2H3,(H,9,10)
InChIKeyXBFCNBVARXCZJR-UHFFFAOYSA-N
XLogP0.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.72
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?
The IUPAC name of 3-ethylpent-2-enehydrazide (CID 130639645) is 3-ethylpent-2-enehydrazide.
What is the SMILES notation for 3-ethylpent-2-enehydrazide?
The canonical SMILES for 3-ethylpent-2-enehydrazide is CCC(=CC(=O)NN)CC.
What is the InChIKey of 3-ethylpent-2-enehydrazide?
The InChIKey is XBFCNBVARXCZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-6(4-2)5-7(10)9-8/h5H,3-4,8H2,1-2H3,(H,9,10).
What are the key properties of 3-ethylpent-2-enehydrazide?
3-ethylpent-2-enehydrazide has a molecular weight of 142.20 g/mol, XLogP of 0.72, 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 is sourced from PubChem (CID 130639645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).