prop-1-en-2-yl N-(4-bromo-2-methoxyphenyl)carbamate

C11H12BrNO3 — CID 89347853

IUPACprop-1-en-2-yl N-(4-bromo-2-methoxyphenyl)carbamate
SMILESC=C(C)OC(=O)Nc1ccc(Br)cc1OC
InChIInChI=1S/C11H12BrNO3/c1-7(2)16-11(14)13-9-5-4-8(12)6-10(9)15-3/h4-6H,1H2,2-3H3,(H,13,14)
InChIKeyBSSIPPHBSUQSQL-UHFFFAOYSA-N
MW286.13 g/mol
LogP3.54
Rot. Bonds3

About prop-1-en-2-yl N-(4-bromo-2-methoxyphenyl)carbamate

prop-1-en-2-yl N-(4-bromo-2-methoxyphenyl)carbamate (PubChem CID 89347853) has the molecular formula C11H12BrNO3 and a molecular weight of 286.13 g/mol. Its IUPAC name is prop-1-en-2-yl N-(4-bromo-2-methoxyphenyl)carbamate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-(4-bromo-2-methoxyphenyl)carbamate
PubChem CID89347853
Molecular FormulaC11H12BrNO3
Molecular Weight286.13 g/mol
Exact Mass285.00
IUPAC Nameprop-1-en-2-yl N-(4-bromo-2-methoxyphenyl)carbamate
SMILESC=C(C)OC(=O)Nc1ccc(Br)cc1OC
InChIInChI=1S/C11H12BrNO3/c1-7(2)16-11(14)13-9-5-4-8(12)6-10(9)15-3/h4-6H,1H2,2-3H3,(H,13,14)
InChIKeyBSSIPPHBSUQSQL-UHFFFAOYSA-N
XLogP3.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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N-(4-bromo-2-methoxyphenyl)-9-oxofluorene-4-carboxamide
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N-acetyl-4-bromo-2-methoxybenzamide
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5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
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1-(5-bromo-2-methoxyphenyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl N-(4-bromo-2-methoxyphenyl)carbamate?
The IUPAC name of prop-1-en-2-yl N-(4-bromo-2-methoxyphenyl)carbamate (CID 89347853) is prop-1-en-2-yl N-(4-bromo-2-methoxyphenyl)carbamate.
What is the SMILES notation for prop-1-en-2-yl N-(4-bromo-2-methoxyphenyl)carbamate?
The canonical SMILES for prop-1-en-2-yl N-(4-bromo-2-methoxyphenyl)carbamate is C=C(C)OC(=O)Nc1ccc(Br)cc1OC.
What is the InChIKey of prop-1-en-2-yl N-(4-bromo-2-methoxyphenyl)carbamate?
The InChIKey is BSSIPPHBSUQSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-7(2)16-11(14)13-9-5-4-8(12)6-10(9)15-3/h4-6H,1H2,2-3H3,(H,13,14).
What are the key properties of prop-1-en-2-yl N-(4-bromo-2-methoxyphenyl)carbamate?
prop-1-en-2-yl N-(4-bromo-2-methoxyphenyl)carbamate has a molecular weight of 286.13 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl N-(4-bromo-2-methoxyphenyl)carbamate is sourced from PubChem (CID 89347853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).