N-(2-bromoethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C10H18BrNO — CID 66478068

IUPACN-(2-bromoethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)NCCBr)C1(C)C
InChIInChI=1S/C10H18BrNO/c1-9(2)7(10(9,3)4)8(13)12-6-5-11/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeyQUUSGLACHIWPLS-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.18
Rot. Bonds3

About N-(2-bromoethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-(2-bromoethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 66478068) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is N-(2-bromoethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID66478068
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC NameN-(2-bromoethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)NCCBr)C1(C)C
InChIInChI=1S/C10H18BrNO/c1-9(2)7(10(9,3)4)8(13)12-6-5-11/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeyQUUSGLACHIWPLS-UHFFFAOYSA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-bromoethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 66478068) is N-(2-bromoethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)NCCBr)C1(C)C.
What is the InChIKey of N-(2-bromoethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is QUUSGLACHIWPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-9(2)7(10(9,3)4)8(13)12-6-5-11/h7H,5-6H2,1-4H3,(H,12,13).
What are the key properties of N-(2-bromoethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-(2-bromoethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 248.16 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 66478068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).