ethyl N-(2-bromoprop-2-enyl)-N-(furan-3-yl)carbamate

C10H12BrNO3 — CID 135076654

IUPACethyl N-(2-bromoprop-2-enyl)-N-(furan-3-yl)carbamate
SMILESC=C(Br)CN(C(=O)OCC)c1ccoc1
InChIInChI=1S/C10H12BrNO3/c1-3-15-10(13)12(6-8(2)11)9-4-5-14-7-9/h4-5,7H,2-3,6H2,1H3
InChIKeyAGZRWXYNGIGTAA-UHFFFAOYSA-N
MW274.11 g/mol
LogP3.15
Rot. Bonds4

About ethyl N-(2-bromoprop-2-enyl)-N-(furan-3-yl)carbamate

ethyl N-(2-bromoprop-2-enyl)-N-(furan-3-yl)carbamate (PubChem CID 135076654) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is ethyl N-(2-bromoprop-2-enyl)-N-(furan-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-bromoprop-2-enyl)-N-(furan-3-yl)carbamate
PubChem CID135076654
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Nameethyl N-(2-bromoprop-2-enyl)-N-(furan-3-yl)carbamate
SMILESC=C(Br)CN(C(=O)OCC)c1ccoc1
InChIInChI=1S/C10H12BrNO3/c1-3-15-10(13)12(6-8(2)11)9-4-5-14-7-9/h4-5,7H,2-3,6H2,1H3
InChIKeyAGZRWXYNGIGTAA-UHFFFAOYSA-N
XLogP3.15
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl N-(2-bromoprop-2-enyl)-N-(furan-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(furan-3-yl)carbamate
CID 12207186
Ammonium, (3-furyl)trimethyl-, iodide
CID 199990
4-(Furan-3-yl)morpholine
CID 12009355
3-Furylaminobutyric acid
CID 68798095
Furan-3-yl(trimethyl)azanium
CID 199991
N,N-diethylfuran-3-amine
CID 12009356
N-butylfuran-3-amine
CID 12009357
methyl N-(furan-3-yl)carbamate
CID 12963185
ethyl N-(furan-3-yl)carbamate
CID 13742101
butyl N-(furan-3-yl)carbamate
CID 17965762
1-(Furan-3-yl)pyrrolidine
CID 18364766
1-(Furan-3-yl)pyridin-4-one
CID 19788565

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-bromoprop-2-enyl)-N-(furan-3-yl)carbamate?
The IUPAC name of ethyl N-(2-bromoprop-2-enyl)-N-(furan-3-yl)carbamate (CID 135076654) is ethyl N-(2-bromoprop-2-enyl)-N-(furan-3-yl)carbamate.
What is the SMILES notation for ethyl N-(2-bromoprop-2-enyl)-N-(furan-3-yl)carbamate?
The canonical SMILES for ethyl N-(2-bromoprop-2-enyl)-N-(furan-3-yl)carbamate is C=C(Br)CN(C(=O)OCC)c1ccoc1.
What is the InChIKey of ethyl N-(2-bromoprop-2-enyl)-N-(furan-3-yl)carbamate?
The InChIKey is AGZRWXYNGIGTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-3-15-10(13)12(6-8(2)11)9-4-5-14-7-9/h4-5,7H,2-3,6H2,1H3.
What are the key properties of ethyl N-(2-bromoprop-2-enyl)-N-(furan-3-yl)carbamate?
ethyl N-(2-bromoprop-2-enyl)-N-(furan-3-yl)carbamate has a molecular weight of 274.11 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-bromoprop-2-enyl)-N-(furan-3-yl)carbamate is sourced from PubChem (CID 135076654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).