(Z)-4-(2-carbamoylhydrazinyl)-2,3-dichlorobut-2-enoic acid

C5H7Cl2N3O3 — CID 92530778

IUPAC(Z)-4-(2-carbamoylhydrazinyl)-2,3-dichlorobut-2-enoic acid
SMILESNC(=O)NNC/C(Cl)=C(/Cl)C(=O)O
InChIInChI=1S/C5H7Cl2N3O3/c6-2(3(7)4(11)12)1-9-10-5(8)13/h9H,1H2,(H,11,12)(H3,8,10,13)/b3-2-
InChIKeyMVHCEQZFPSRLLL-IHWYPQMZSA-N
MW228.03 g/mol
LogP-0.07
Rot. Bonds4

About (Z)-4-(2-carbamoylhydrazinyl)-2,3-dichlorobut-2-enoic acid

(Z)-4-(2-carbamoylhydrazinyl)-2,3-dichlorobut-2-enoic acid (PubChem CID 92530778) has the molecular formula C5H7Cl2N3O3 and a molecular weight of 228.03 g/mol. Its IUPAC name is (Z)-4-(2-carbamoylhydrazinyl)-2,3-dichlorobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(2-carbamoylhydrazinyl)-2,3-dichlorobut-2-enoic acid
PubChem CID92530778
Molecular FormulaC5H7Cl2N3O3
Molecular Weight228.03 g/mol
Exact Mass226.99
IUPAC Name(Z)-4-(2-carbamoylhydrazinyl)-2,3-dichlorobut-2-enoic acid
SMILESNC(=O)NNC/C(Cl)=C(/Cl)C(=O)O
InChIInChI=1S/C5H7Cl2N3O3/c6-2(3(7)4(11)12)1-9-10-5(8)13/h9H,1H2,(H,11,12)(H3,8,10,13)/b3-2-
InChIKeyMVHCEQZFPSRLLL-IHWYPQMZSA-N
XLogP-0.07
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.03
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 (Z)-4-(2-carbamoylhydrazinyl)-2,3-dichlorobut-2-enoic acid?
The IUPAC name of (Z)-4-(2-carbamoylhydrazinyl)-2,3-dichlorobut-2-enoic acid (CID 92530778) is (Z)-4-(2-carbamoylhydrazinyl)-2,3-dichlorobut-2-enoic acid.
What is the SMILES notation for (Z)-4-(2-carbamoylhydrazinyl)-2,3-dichlorobut-2-enoic acid?
The canonical SMILES for (Z)-4-(2-carbamoylhydrazinyl)-2,3-dichlorobut-2-enoic acid is NC(=O)NNC/C(Cl)=C(/Cl)C(=O)O.
What is the InChIKey of (Z)-4-(2-carbamoylhydrazinyl)-2,3-dichlorobut-2-enoic acid?
The InChIKey is MVHCEQZFPSRLLL-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H7Cl2N3O3/c6-2(3(7)4(11)12)1-9-10-5(8)13/h9H,1H2,(H,11,12)(H3,8,10,13)/b3-2-.
What are the key properties of (Z)-4-(2-carbamoylhydrazinyl)-2,3-dichlorobut-2-enoic acid?
(Z)-4-(2-carbamoylhydrazinyl)-2,3-dichlorobut-2-enoic acid has a molecular weight of 228.03 g/mol, XLogP of -0.07, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-carbamoylhydrazinyl)-2,3-dichlorobut-2-enoic acid is sourced from PubChem (CID 92530778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).