1-bromo-N-(2-chloroprop-2-enyl)cyclobutane-1-carboxamide

C8H11BrClNO — CID 130614249

IUPAC1-bromo-N-(2-chloroprop-2-enyl)cyclobutane-1-carboxamide
SMILESC=C(Cl)CNC(=O)C1(Br)CCC1
InChIInChI=1S/C8H11BrClNO/c1-6(10)5-11-7(12)8(9)3-2-4-8/h1-5H2,(H,11,12)
InChIKeyVGTHYMIUNUNQLM-UHFFFAOYSA-N
MW252.54 g/mol
LogP2.17
Rot. Bonds3

About 1-bromo-N-(2-chloroprop-2-enyl)cyclobutane-1-carboxamide

1-bromo-N-(2-chloroprop-2-enyl)cyclobutane-1-carboxamide (PubChem CID 130614249) has the molecular formula C8H11BrClNO and a molecular weight of 252.54 g/mol. Its IUPAC name is 1-bromo-N-(2-chloroprop-2-enyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-bromo-N-(2-chloroprop-2-enyl)cyclobutane-1-carboxamide
PubChem CID130614249
Molecular FormulaC8H11BrClNO
Molecular Weight252.54 g/mol
Exact Mass250.97
IUPAC Name1-bromo-N-(2-chloroprop-2-enyl)cyclobutane-1-carboxamide
SMILESC=C(Cl)CNC(=O)C1(Br)CCC1
InChIInChI=1S/C8H11BrClNO/c1-6(10)5-11-7(12)8(9)3-2-4-8/h1-5H2,(H,11,12)
InChIKeyVGTHYMIUNUNQLM-UHFFFAOYSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.54
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(2-chloroprop-2-enyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-bromo-N-(2-chloroprop-2-enyl)cyclobutane-1-carboxamide (CID 130614249) is 1-bromo-N-(2-chloroprop-2-enyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-bromo-N-(2-chloroprop-2-enyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-bromo-N-(2-chloroprop-2-enyl)cyclobutane-1-carboxamide is C=C(Cl)CNC(=O)C1(Br)CCC1.
What is the InChIKey of 1-bromo-N-(2-chloroprop-2-enyl)cyclobutane-1-carboxamide?
The InChIKey is VGTHYMIUNUNQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrClNO/c1-6(10)5-11-7(12)8(9)3-2-4-8/h1-5H2,(H,11,12).
What are the key properties of 1-bromo-N-(2-chloroprop-2-enyl)cyclobutane-1-carboxamide?
1-bromo-N-(2-chloroprop-2-enyl)cyclobutane-1-carboxamide has a molecular weight of 252.54 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2-chloroprop-2-enyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 130614249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).