N-(2-bromoprop-2-enyl)-2-cyclopropylacetamide

C8H12BrNO — CID 115594370

IUPACN-(2-bromoprop-2-enyl)-2-cyclopropylacetamide
SMILESC=C(Br)CNC(=O)CC1CC1
InChIInChI=1S/C8H12BrNO/c1-6(9)5-10-8(11)4-7-2-3-7/h7H,1-5H2,(H,10,11)
InChIKeyMHVAVNSCGLWTNQ-UHFFFAOYSA-N
MW218.09 g/mol
LogP1.81
Rot. Bonds4

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

N-(2-bromoprop-2-enyl)-2-cyclopropylacetamide (PubChem CID 115594370) has the molecular formula C8H12BrNO and a molecular weight of 218.09 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-cyclopropylacetamide
PubChem CID115594370
Molecular FormulaC8H12BrNO
Molecular Weight218.09 g/mol
Exact Mass217.01
IUPAC NameN-(2-bromoprop-2-enyl)-2-cyclopropylacetamide
SMILESC=C(Br)CNC(=O)CC1CC1
InChIInChI=1S/C8H12BrNO/c1-6(9)5-10-8(11)4-7-2-3-7/h7H,1-5H2,(H,10,11)
InChIKeyMHVAVNSCGLWTNQ-UHFFFAOYSA-N
XLogP1.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 51.81
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)-2-cyclopropylacetamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-cyclopropylacetamide (CID 115594370) is N-(2-bromoprop-2-enyl)-2-cyclopropylacetamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-cyclopropylacetamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-cyclopropylacetamide is C=C(Br)CNC(=O)CC1CC1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-cyclopropylacetamide?
The InChIKey is MHVAVNSCGLWTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO/c1-6(9)5-10-8(11)4-7-2-3-7/h7H,1-5H2,(H,10,11).
What are the key properties of N-(2-bromoprop-2-enyl)-2-cyclopropylacetamide?
N-(2-bromoprop-2-enyl)-2-cyclopropylacetamide has a molecular weight of 218.09 g/mol, XLogP of 1.81, 4 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)-2-cyclopropylacetamide is sourced from PubChem (CID 115594370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).