2-bromoprop-2-enylcarbamic acid

C4H6BrNO2 — CID 118140795

IUPAC2-bromoprop-2-enylcarbamic acid
SMILESC=C(Br)CNC(=O)O
InChIInChI=1S/C4H6BrNO2/c1-3(5)2-6-4(7)8/h6H,1-2H2,(H,7,8)
InChIKeyMZZNBWRMFGBAPP-UHFFFAOYSA-N
MW180.00 g/mol
LogP1.16
Rot. Bonds2

About 2-bromoprop-2-enylcarbamic acid

2-bromoprop-2-enylcarbamic acid (PubChem CID 118140795) has the molecular formula C4H6BrNO2 and a molecular weight of 180.00 g/mol. Its IUPAC name is 2-bromoprop-2-enylcarbamic acid.

Molecular Properties

Compound Name2-bromoprop-2-enylcarbamic acid
PubChem CID118140795
Molecular FormulaC4H6BrNO2
Molecular Weight180.00 g/mol
Exact Mass178.96
IUPAC Name2-bromoprop-2-enylcarbamic acid
SMILESC=C(Br)CNC(=O)O
InChIInChI=1S/C4H6BrNO2/c1-3(5)2-6-4(7)8/h6H,1-2H2,(H,7,8)
InChIKeyMZZNBWRMFGBAPP-UHFFFAOYSA-N
XLogP1.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.00
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromoprop-2-enylcarbamic acid?
The IUPAC name of 2-bromoprop-2-enylcarbamic acid (CID 118140795) is 2-bromoprop-2-enylcarbamic acid.
What is the SMILES notation for 2-bromoprop-2-enylcarbamic acid?
The canonical SMILES for 2-bromoprop-2-enylcarbamic acid is C=C(Br)CNC(=O)O.
What is the InChIKey of 2-bromoprop-2-enylcarbamic acid?
The InChIKey is MZZNBWRMFGBAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrNO2/c1-3(5)2-6-4(7)8/h6H,1-2H2,(H,7,8).
What are the key properties of 2-bromoprop-2-enylcarbamic acid?
2-bromoprop-2-enylcarbamic acid has a molecular weight of 180.00 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoprop-2-enylcarbamic acid is sourced from PubChem (CID 118140795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).