(E)-N'-[(E)-but-2-enoyl]but-2-enehydrazide

C8H12N2O2 — CID 6473965

IUPAC(E)-N'-[(E)-but-2-enoyl]but-2-enehydrazide
SMILESC/C=C/C(=O)NNC(=O)/C=C/C
InChIInChI=1S/C8H12N2O2/c1-3-5-7(11)9-10-8(12)6-4-2/h3-6H,1-2H3,(H,9,11)(H,10,12)/b5-3+,6-4+
InChIKeyGUHQRXLRGWOGTE-GGWOSOGESA-N
MW168.20 g/mol
LogP0.29
Rot. Bonds2

About (E)-N'-[(E)-but-2-enoyl]but-2-enehydrazide

(E)-N'-[(E)-but-2-enoyl]but-2-enehydrazide (PubChem CID 6473965) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (E)-N'-[(E)-but-2-enoyl]but-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[(E)-but-2-enoyl]but-2-enehydrazide
PubChem CID6473965
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(E)-N'-[(E)-but-2-enoyl]but-2-enehydrazide
SMILESC/C=C/C(=O)NNC(=O)/C=C/C
InChIInChI=1S/C8H12N2O2/c1-3-5-7(11)9-10-8(12)6-4-2/h3-6H,1-2H3,(H,9,11)(H,10,12)/b5-3+,6-4+
InChIKeyGUHQRXLRGWOGTE-GGWOSOGESA-N
XLogP0.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (E)-N'-[(E)-but-2-enoyl]but-2-enehydrazide?
The IUPAC name of (E)-N'-[(E)-but-2-enoyl]but-2-enehydrazide (CID 6473965) is (E)-N'-[(E)-but-2-enoyl]but-2-enehydrazide.
What is the SMILES notation for (E)-N'-[(E)-but-2-enoyl]but-2-enehydrazide?
The canonical SMILES for (E)-N'-[(E)-but-2-enoyl]but-2-enehydrazide is C/C=C/C(=O)NNC(=O)/C=C/C.
What is the InChIKey of (E)-N'-[(E)-but-2-enoyl]but-2-enehydrazide?
The InChIKey is GUHQRXLRGWOGTE-GGWOSOGESA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-5-7(11)9-10-8(12)6-4-2/h3-6H,1-2H3,(H,9,11)(H,10,12)/b5-3+,6-4+.
What are the key properties of (E)-N'-[(E)-but-2-enoyl]but-2-enehydrazide?
(E)-N'-[(E)-but-2-enoyl]but-2-enehydrazide has a molecular weight of 168.20 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[(E)-but-2-enoyl]but-2-enehydrazide is sourced from PubChem (CID 6473965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).