methyl N-(2-bromoprop-2-enyl)-N-(2-oxoethyl)carbamate

C7H10BrNO3 — CID 19738529

IUPACmethyl N-(2-bromoprop-2-enyl)-N-(2-oxoethyl)carbamate
SMILESC=C(Br)CN(CC=O)C(=O)OC
InChIInChI=1S/C7H10BrNO3/c1-6(8)5-9(3-4-10)7(11)12-2/h4H,1,3,5H2,2H3
InChIKeyCXJMSCMXROMBEY-UHFFFAOYSA-N
MW236.06 g/mol
LogP1.16
Rot. Bonds4

About methyl N-(2-bromoprop-2-enyl)-N-(2-oxoethyl)carbamate

methyl N-(2-bromoprop-2-enyl)-N-(2-oxoethyl)carbamate (PubChem CID 19738529) has the molecular formula C7H10BrNO3 and a molecular weight of 236.06 g/mol. Its IUPAC name is methyl N-(2-bromoprop-2-enyl)-N-(2-oxoethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-bromoprop-2-enyl)-N-(2-oxoethyl)carbamate
PubChem CID19738529
Molecular FormulaC7H10BrNO3
Molecular Weight236.06 g/mol
Exact Mass234.98
IUPAC Namemethyl N-(2-bromoprop-2-enyl)-N-(2-oxoethyl)carbamate
SMILESC=C(Br)CN(CC=O)C(=O)OC
InChIInChI=1S/C7H10BrNO3/c1-6(8)5-9(3-4-10)7(11)12-2/h4H,1,3,5H2,2H3
InChIKeyCXJMSCMXROMBEY-UHFFFAOYSA-N
XLogP1.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-bromoprop-2-enyl)-N-ethylcarbamate
CID 88586315
methyl N-[(3-hydroxyphenyl)methyl]-N-(2-oxoethyl)carbamate
CID 89030323
N-(cyanomethyl)-N-(2-oxoethyl)propanamide;methoxymethane
CID 144792557
methyl 2-[formyl(methoxycarbonyl)amino]acetate
CID 166484365
methyl (2R)-2-[2-bromoprop-2-enyl(cyclopropyl)amino]propanoate
CID 95629535
3-amino-N-[2-(ethylamino)-2-oxoethyl]-N-(2-oxoethyl)propanamide
CID 89192424
methyl N-methyl-N-prop-2-enylcarbamate
CID 116657055
N-(2-oxoethyl)-N-prop-2-enylacetamide
CID 19738524
ethyl N-methyl-N-(2-oxoethyl)carbamate
CID 126971639
methyl N-(2-amino-2-oxoethyl)-N-ethylcarbamate
CID 103101669
N-ethyl-N-(2-oxoethyl)prop-2-enamide
CID 90459922
2-bromoprop-2-enyl(methyl)carbamic acid
CID 118140794

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-bromoprop-2-enyl)-N-(2-oxoethyl)carbamate?
The IUPAC name of methyl N-(2-bromoprop-2-enyl)-N-(2-oxoethyl)carbamate (CID 19738529) is methyl N-(2-bromoprop-2-enyl)-N-(2-oxoethyl)carbamate.
What is the SMILES notation for methyl N-(2-bromoprop-2-enyl)-N-(2-oxoethyl)carbamate?
The canonical SMILES for methyl N-(2-bromoprop-2-enyl)-N-(2-oxoethyl)carbamate is C=C(Br)CN(CC=O)C(=O)OC.
What is the InChIKey of methyl N-(2-bromoprop-2-enyl)-N-(2-oxoethyl)carbamate?
The InChIKey is CXJMSCMXROMBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO3/c1-6(8)5-9(3-4-10)7(11)12-2/h4H,1,3,5H2,2H3.
What are the key properties of methyl N-(2-bromoprop-2-enyl)-N-(2-oxoethyl)carbamate?
methyl N-(2-bromoprop-2-enyl)-N-(2-oxoethyl)carbamate has a molecular weight of 236.06 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-bromoprop-2-enyl)-N-(2-oxoethyl)carbamate is sourced from PubChem (CID 19738529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).