but-3-enyl-(3,6-dichloropyridazin-4-yl)carbamic acid

C9H9Cl2N3O2 — CID 87358328

IUPACbut-3-enyl-(3,6-dichloropyridazin-4-yl)carbamic acid
SMILESC=CCCN(C(=O)O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C9H9Cl2N3O2/c1-2-3-4-14(9(15)16)6-5-7(10)12-13-8(6)11/h2,5H,1,3-4H2,(H,15,16)
InChIKeyFECYZSOUDTWWPL-UHFFFAOYSA-N
MW262.10 g/mol
LogP2.84
Rot. Bonds4

About but-3-enyl-(3,6-dichloropyridazin-4-yl)carbamic acid

but-3-enyl-(3,6-dichloropyridazin-4-yl)carbamic acid (PubChem CID 87358328) has the molecular formula C9H9Cl2N3O2 and a molecular weight of 262.10 g/mol. Its IUPAC name is but-3-enyl-(3,6-dichloropyridazin-4-yl)carbamic acid.

Molecular Properties

Compound Namebut-3-enyl-(3,6-dichloropyridazin-4-yl)carbamic acid
PubChem CID87358328
Molecular FormulaC9H9Cl2N3O2
Molecular Weight262.10 g/mol
Exact Mass261.01
IUPAC Namebut-3-enyl-(3,6-dichloropyridazin-4-yl)carbamic acid
SMILESC=CCCN(C(=O)O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C9H9Cl2N3O2/c1-2-3-4-14(9(15)16)6-5-7(10)12-13-8(6)11/h2,5H,1,3-4H2,(H,15,16)
InChIKeyFECYZSOUDTWWPL-UHFFFAOYSA-N
XLogP2.84
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-3-enyl-(3,6-dichloropyridazin-4-yl)carbamic acid?
The IUPAC name of but-3-enyl-(3,6-dichloropyridazin-4-yl)carbamic acid (CID 87358328) is but-3-enyl-(3,6-dichloropyridazin-4-yl)carbamic acid.
What is the SMILES notation for but-3-enyl-(3,6-dichloropyridazin-4-yl)carbamic acid?
The canonical SMILES for but-3-enyl-(3,6-dichloropyridazin-4-yl)carbamic acid is C=CCCN(C(=O)O)c1cc(Cl)nnc1Cl.
What is the InChIKey of but-3-enyl-(3,6-dichloropyridazin-4-yl)carbamic acid?
The InChIKey is FECYZSOUDTWWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O2/c1-2-3-4-14(9(15)16)6-5-7(10)12-13-8(6)11/h2,5H,1,3-4H2,(H,15,16).
What are the key properties of but-3-enyl-(3,6-dichloropyridazin-4-yl)carbamic acid?
but-3-enyl-(3,6-dichloropyridazin-4-yl)carbamic acid has a molecular weight of 262.10 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl-(3,6-dichloropyridazin-4-yl)carbamic acid is sourced from PubChem (CID 87358328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).