3-(2,2-dibromoethenyl)-N-ethyl-2,2-dimethylcyclopropane-1-carboxamide

C10H15Br2NO — CID 88875360

IUPAC3-(2,2-dibromoethenyl)-N-ethyl-2,2-dimethylcyclopropane-1-carboxamide
SMILESCCNC(=O)C1C(C=C(Br)Br)C1(C)C
InChIInChI=1S/C10H15Br2NO/c1-4-13-9(14)8-6(5-7(11)12)10(8,2)3/h5-6,8H,4H2,1-3H3,(H,13,14)
InChIKeyJEOYPTKQRVGCRS-UHFFFAOYSA-N
MW325.04 g/mol
LogP3.03
Rot. Bonds3

About 3-(2,2-dibromoethenyl)-N-ethyl-2,2-dimethylcyclopropane-1-carboxamide

3-(2,2-dibromoethenyl)-N-ethyl-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 88875360) has the molecular formula C10H15Br2NO and a molecular weight of 325.04 g/mol. Its IUPAC name is 3-(2,2-dibromoethenyl)-N-ethyl-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name3-(2,2-dibromoethenyl)-N-ethyl-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID88875360
Molecular FormulaC10H15Br2NO
Molecular Weight325.04 g/mol
Exact Mass322.95
IUPAC Name3-(2,2-dibromoethenyl)-N-ethyl-2,2-dimethylcyclopropane-1-carboxamide
SMILESCCNC(=O)C1C(C=C(Br)Br)C1(C)C
InChIInChI=1S/C10H15Br2NO/c1-4-13-9(14)8-6(5-7(11)12)10(8,2)3/h5-6,8H,4H2,1-3H3,(H,13,14)
InChIKeyJEOYPTKQRVGCRS-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.04
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dibromoethenyl)-N-ethyl-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of 3-(2,2-dibromoethenyl)-N-ethyl-2,2-dimethylcyclopropane-1-carboxamide (CID 88875360) is 3-(2,2-dibromoethenyl)-N-ethyl-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for 3-(2,2-dibromoethenyl)-N-ethyl-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for 3-(2,2-dibromoethenyl)-N-ethyl-2,2-dimethylcyclopropane-1-carboxamide is CCNC(=O)C1C(C=C(Br)Br)C1(C)C.
What is the InChIKey of 3-(2,2-dibromoethenyl)-N-ethyl-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is JEOYPTKQRVGCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br2NO/c1-4-13-9(14)8-6(5-7(11)12)10(8,2)3/h5-6,8H,4H2,1-3H3,(H,13,14).
What are the key properties of 3-(2,2-dibromoethenyl)-N-ethyl-2,2-dimethylcyclopropane-1-carboxamide?
3-(2,2-dibromoethenyl)-N-ethyl-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 325.04 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dibromoethenyl)-N-ethyl-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 88875360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).