hydrazine;4-(morpholin-4-ylamino)-4-oxobut-2-enoic acid

C8H16N4O4 — CID 162153090

IUPAChydrazine;4-(morpholin-4-ylamino)-4-oxobut-2-enoic acid
SMILESNN.O=C(O)C=CC(=O)NN1CCOCC1
InChIInChI=1S/C8H12N2O4.H4N2/c11-7(1-2-8(12)13)9-10-3-5-14-6-4-10;1-2/h1-2H,3-6H2,(H,9,11)(H,12,13);1-2H2
InChIKeyZLLVGXXVVJQSAI-UHFFFAOYSA-N
MW232.24 g/mol
LogP-2.19
Rot. Bonds3

About hydrazine;4-(morpholin-4-ylamino)-4-oxobut-2-enoic acid

hydrazine;4-(morpholin-4-ylamino)-4-oxobut-2-enoic acid (PubChem CID 162153090) has the molecular formula C8H16N4O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is hydrazine;4-(morpholin-4-ylamino)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Namehydrazine;4-(morpholin-4-ylamino)-4-oxobut-2-enoic acid
PubChem CID162153090
Molecular FormulaC8H16N4O4
Molecular Weight232.24 g/mol
Exact Mass232.12
IUPAC Namehydrazine;4-(morpholin-4-ylamino)-4-oxobut-2-enoic acid
SMILESNN.O=C(O)C=CC(=O)NN1CCOCC1
InChIInChI=1S/C8H12N2O4.H4N2/c11-7(1-2-8(12)13)9-10-3-5-14-6-4-10;1-2/h1-2H,3-6H2,(H,9,11)(H,12,13);1-2H2
InChIKeyZLLVGXXVVJQSAI-UHFFFAOYSA-N
XLogP-2.19
TPSA130.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 hydrazine;4-(morpholin-4-ylamino)-4-oxobut-2-enoic acid?
The IUPAC name of hydrazine;4-(morpholin-4-ylamino)-4-oxobut-2-enoic acid (CID 162153090) is hydrazine;4-(morpholin-4-ylamino)-4-oxobut-2-enoic acid.
What is the SMILES notation for hydrazine;4-(morpholin-4-ylamino)-4-oxobut-2-enoic acid?
The canonical SMILES for hydrazine;4-(morpholin-4-ylamino)-4-oxobut-2-enoic acid is NN.O=C(O)C=CC(=O)NN1CCOCC1.
What is the InChIKey of hydrazine;4-(morpholin-4-ylamino)-4-oxobut-2-enoic acid?
The InChIKey is ZLLVGXXVVJQSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4.H4N2/c11-7(1-2-8(12)13)9-10-3-5-14-6-4-10;1-2/h1-2H,3-6H2,(H,9,11)(H,12,13);1-2H2.
What are the key properties of hydrazine;4-(morpholin-4-ylamino)-4-oxobut-2-enoic acid?
hydrazine;4-(morpholin-4-ylamino)-4-oxobut-2-enoic acid has a molecular weight of 232.24 g/mol, XLogP of -2.19, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;4-(morpholin-4-ylamino)-4-oxobut-2-enoic acid is sourced from PubChem (CID 162153090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).