(E)-4-(4-cyclopropylpiperazin-1-yl)but-2-enehydrazide

C11H20N4O — CID 144832724

IUPAC(E)-4-(4-cyclopropylpiperazin-1-yl)but-2-enehydrazide
SMILESNNC(=O)/C=C/CN1CCN(C2CC2)CC1
InChIInChI=1S/C11H20N4O/c12-13-11(16)2-1-5-14-6-8-15(9-7-14)10-3-4-10/h1-2,10H,3-9,12H2,(H,13,16)/b2-1+
InChIKeyBBFNZSOKZRNIFE-OWOJBTEDSA-N
MW224.31 g/mol
LogP-0.69
Rot. Bonds4

About (E)-4-(4-cyclopropylpiperazin-1-yl)but-2-enehydrazide

(E)-4-(4-cyclopropylpiperazin-1-yl)but-2-enehydrazide (PubChem CID 144832724) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is (E)-4-(4-cyclopropylpiperazin-1-yl)but-2-enehydrazide.

Molecular Properties

Compound Name(E)-4-(4-cyclopropylpiperazin-1-yl)but-2-enehydrazide
PubChem CID144832724
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name(E)-4-(4-cyclopropylpiperazin-1-yl)but-2-enehydrazide
SMILESNNC(=O)/C=C/CN1CCN(C2CC2)CC1
InChIInChI=1S/C11H20N4O/c12-13-11(16)2-1-5-14-6-8-15(9-7-14)10-3-4-10/h1-2,10H,3-9,12H2,(H,13,16)/b2-1+
InChIKeyBBFNZSOKZRNIFE-OWOJBTEDSA-N
XLogP-0.69
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.69
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-Hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide
CID 69094618
(E)-4-(4-cyclopropylpiperazin-1-yl)but-2-enamide
CID 138657654
4-(4-Cyclopropylpiperazin-1-yl)but-2-enamide
CID 141030289
(E)-4-(4-methylpiperazin-1-yl)but-2-enehydrazide
CID 144832735
(E)-N-(4-methylpiperazin-1-yl)but-2-enamide
CID 78911890
(E)-4-amino-N-(4-methylpiperazin-1-yl)but-2-enamide
CID 130533305

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-cyclopropylpiperazin-1-yl)but-2-enehydrazide?
The IUPAC name of (E)-4-(4-cyclopropylpiperazin-1-yl)but-2-enehydrazide (CID 144832724) is (E)-4-(4-cyclopropylpiperazin-1-yl)but-2-enehydrazide.
What is the SMILES notation for (E)-4-(4-cyclopropylpiperazin-1-yl)but-2-enehydrazide?
The canonical SMILES for (E)-4-(4-cyclopropylpiperazin-1-yl)but-2-enehydrazide is NNC(=O)/C=C/CN1CCN(C2CC2)CC1.
What is the InChIKey of (E)-4-(4-cyclopropylpiperazin-1-yl)but-2-enehydrazide?
The InChIKey is BBFNZSOKZRNIFE-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H20N4O/c12-13-11(16)2-1-5-14-6-8-15(9-7-14)10-3-4-10/h1-2,10H,3-9,12H2,(H,13,16)/b2-1+.
What are the key properties of (E)-4-(4-cyclopropylpiperazin-1-yl)but-2-enehydrazide?
(E)-4-(4-cyclopropylpiperazin-1-yl)but-2-enehydrazide has a molecular weight of 224.31 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-cyclopropylpiperazin-1-yl)but-2-enehydrazide is sourced from PubChem (CID 144832724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).