(E)-N'-acetylbut-2-enehydrazide

C6H10N2O2 — CID 15120470

IUPAC(E)-N'-acetylbut-2-enehydrazide
SMILESC/C=C/C(=O)NNC(C)=O
InChIInChI=1S/C6H10N2O2/c1-3-4-6(10)8-7-5(2)9/h3-4H,1-2H3,(H,7,9)(H,8,10)/b4-3+
InChIKeyCXIFOPJJOSORBJ-ONEGZZNKSA-N
MW142.16 g/mol
LogP-0.27
Rot. Bonds1

About (E)-N'-acetylbut-2-enehydrazide

(E)-N'-acetylbut-2-enehydrazide (PubChem CID 15120470) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (E)-N'-acetylbut-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-acetylbut-2-enehydrazide
PubChem CID15120470
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name(E)-N'-acetylbut-2-enehydrazide
SMILESC/C=C/C(=O)NNC(C)=O
InChIInChI=1S/C6H10N2O2/c1-3-4-6(10)8-7-5(2)9/h3-4H,1-2H3,(H,7,9)(H,8,10)/b4-3+
InChIKeyCXIFOPJJOSORBJ-ONEGZZNKSA-N
XLogP-0.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.27
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'-acetylbut-2-enehydrazide?
The IUPAC name of (E)-N'-acetylbut-2-enehydrazide (CID 15120470) is (E)-N'-acetylbut-2-enehydrazide.
What is the SMILES notation for (E)-N'-acetylbut-2-enehydrazide?
The canonical SMILES for (E)-N'-acetylbut-2-enehydrazide is C/C=C/C(=O)NNC(C)=O.
What is the InChIKey of (E)-N'-acetylbut-2-enehydrazide?
The InChIKey is CXIFOPJJOSORBJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-3-4-6(10)8-7-5(2)9/h3-4H,1-2H3,(H,7,9)(H,8,10)/b4-3+.
What are the key properties of (E)-N'-acetylbut-2-enehydrazide?
(E)-N'-acetylbut-2-enehydrazide has a molecular weight of 142.16 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-acetylbut-2-enehydrazide is sourced from PubChem (CID 15120470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).