N-(2-bromoprop-2-enyl)propanamide

C6H10BrNO — CID 3064432

IUPACN-(2-bromoprop-2-enyl)propanamide
SMILESC=C(Br)CNC(=O)CC
InChIInChI=1S/C6H10BrNO/c1-3-6(9)8-4-5(2)7/h2-4H2,1H3,(H,8,9)
InChIKeyWWZPICKFNYFROH-UHFFFAOYSA-N
MW192.06 g/mol
LogP1.42
Rot. Bonds3

About N-(2-bromoprop-2-enyl)propanamide

N-(2-bromoprop-2-enyl)propanamide (PubChem CID 3064432) has the molecular formula C6H10BrNO and a molecular weight of 192.06 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)propanamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)propanamide
PubChem CID3064432
Molecular FormulaC6H10BrNO
Molecular Weight192.06 g/mol
Exact Mass190.99
IUPAC NameN-(2-bromoprop-2-enyl)propanamide
SMILESC=C(Br)CNC(=O)CC
InChIInChI=1S/C6H10BrNO/c1-3-6(9)8-4-5(2)7/h2-4H2,1H3,(H,8,9)
InChIKeyWWZPICKFNYFROH-UHFFFAOYSA-N
XLogP1.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.06
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)propanamide?
The IUPAC name of N-(2-bromoprop-2-enyl)propanamide (CID 3064432) is N-(2-bromoprop-2-enyl)propanamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)propanamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)propanamide is C=C(Br)CNC(=O)CC.
What is the InChIKey of N-(2-bromoprop-2-enyl)propanamide?
The InChIKey is WWZPICKFNYFROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrNO/c1-3-6(9)8-4-5(2)7/h2-4H2,1H3,(H,8,9).
What are the key properties of N-(2-bromoprop-2-enyl)propanamide?
N-(2-bromoprop-2-enyl)propanamide has a molecular weight of 192.06 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)propanamide is sourced from PubChem (CID 3064432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).