N-(2-bromoprop-2-enyl)-3-cyclohexylpropanamide

C12H20BrNO — CID 52768193

IUPACN-(2-bromoprop-2-enyl)-3-cyclohexylpropanamide
SMILESC=C(Br)CNC(=O)CCC1CCCCC1
InChIInChI=1S/C12H20BrNO/c1-10(13)9-14-12(15)8-7-11-5-3-2-4-6-11/h11H,1-9H2,(H,14,15)
InChIKeyUKWNXVCUZSJQLC-UHFFFAOYSA-N
MW274.20 g/mol
LogP3.37
Rot. Bonds5

About N-(2-bromoprop-2-enyl)-3-cyclohexylpropanamide

N-(2-bromoprop-2-enyl)-3-cyclohexylpropanamide (PubChem CID 52768193) has the molecular formula C12H20BrNO and a molecular weight of 274.20 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-3-cyclohexylpropanamide
PubChem CID52768193
Molecular FormulaC12H20BrNO
Molecular Weight274.20 g/mol
Exact Mass273.07
IUPAC NameN-(2-bromoprop-2-enyl)-3-cyclohexylpropanamide
SMILESC=C(Br)CNC(=O)CCC1CCCCC1
InChIInChI=1S/C12H20BrNO/c1-10(13)9-14-12(15)8-7-11-5-3-2-4-6-11/h11H,1-9H2,(H,14,15)
InChIKeyUKWNXVCUZSJQLC-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 53.37
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)-3-cyclohexylpropanamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-3-cyclohexylpropanamide (CID 52768193) is N-(2-bromoprop-2-enyl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-3-cyclohexylpropanamide is C=C(Br)CNC(=O)CCC1CCCCC1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-3-cyclohexylpropanamide?
The InChIKey is UKWNXVCUZSJQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO/c1-10(13)9-14-12(15)8-7-11-5-3-2-4-6-11/h11H,1-9H2,(H,14,15).
What are the key properties of N-(2-bromoprop-2-enyl)-3-cyclohexylpropanamide?
N-(2-bromoprop-2-enyl)-3-cyclohexylpropanamide has a molecular weight of 274.20 g/mol, XLogP of 3.37, 5 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)-3-cyclohexylpropanamide is sourced from PubChem (CID 52768193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).