2-(2-bromoprop-2-enylamino)ethyl carbamate

C6H11BrN2O2 — CID 83211675

IUPAC2-(2-bromoprop-2-enylamino)ethyl carbamate
SMILESC=C(Br)CNCCOC(N)=O
InChIInChI=1S/C6H11BrN2O2/c1-5(7)4-9-2-3-11-6(8)10/h9H,1-4H2,(H2,8,10)
InChIKeyYTXOFHYNZNTVBA-UHFFFAOYSA-N
MW223.07 g/mol
LogP0.58
Rot. Bonds5

About 2-(2-bromoprop-2-enylamino)ethyl carbamate

2-(2-bromoprop-2-enylamino)ethyl carbamate (PubChem CID 83211675) has the molecular formula C6H11BrN2O2 and a molecular weight of 223.07 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(2-bromoprop-2-enylamino)ethyl carbamate
PubChem CID83211675
Molecular FormulaC6H11BrN2O2
Molecular Weight223.07 g/mol
Exact Mass222.00
IUPAC Name2-(2-bromoprop-2-enylamino)ethyl carbamate
SMILESC=C(Br)CNCCOC(N)=O
InChIInChI=1S/C6H11BrN2O2/c1-5(7)4-9-2-3-11-6(8)10/h9H,1-4H2,(H2,8,10)
InChIKeyYTXOFHYNZNTVBA-UHFFFAOYSA-N
XLogP0.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-2-hydroxyiminoethyl)amino]ethyl carbamate
CID 83204997
5-(2-bromoprop-2-enylamino)pentanamide
CID 106237541
ethyl 2-(2-carbamoyloxyethylamino)acetate
CID 83209785
2-[(3-amino-3-oxopropyl)amino]ethyl carbamate
CID 83211468
2-(3-aminopropylamino)ethyl carbamate
CID 83209629
tert-butyl N-[2-(2-bromoprop-2-enylamino)ethyl]carbamate
CID 115614738
2-bromo-N-propylprop-2-en-1-amine
CID 60873947
2-[[2-(2-methylanilino)-2-oxoethyl]amino]ethyl carbamate
CID 83209981
5-(2-carbamoyloxyethylamino)pentanoic acid
CID 103262155
2-[(3-amino-3-hydroxyiminopropyl)amino]ethyl carbamate
CID 83203983
2-[[2-(ethylamino)acetyl]amino]ethyl carbamate
CID 83211277
2-(4-methylpentylamino)ethyl carbamate
CID 83210369

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enylamino)ethyl carbamate?
The IUPAC name of 2-(2-bromoprop-2-enylamino)ethyl carbamate (CID 83211675) is 2-(2-bromoprop-2-enylamino)ethyl carbamate.
What is the SMILES notation for 2-(2-bromoprop-2-enylamino)ethyl carbamate?
The canonical SMILES for 2-(2-bromoprop-2-enylamino)ethyl carbamate is C=C(Br)CNCCOC(N)=O.
What is the InChIKey of 2-(2-bromoprop-2-enylamino)ethyl carbamate?
The InChIKey is YTXOFHYNZNTVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrN2O2/c1-5(7)4-9-2-3-11-6(8)10/h9H,1-4H2,(H2,8,10).
What are the key properties of 2-(2-bromoprop-2-enylamino)ethyl carbamate?
2-(2-bromoprop-2-enylamino)ethyl carbamate has a molecular weight of 223.07 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enylamino)ethyl carbamate is sourced from PubChem (CID 83211675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).