2-bromo-N,N,1-trimethylcyclopropane-1-carboxamide

C7H12BrNO — CID 12537186

IUPAC2-bromo-N,N,1-trimethylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)C1(C)CC1Br
InChIInChI=1S/C7H12BrNO/c1-7(4-5(7)8)6(10)9(2)3/h5H,4H2,1-3H3
InChIKeyIANZWHRIULQIMO-UHFFFAOYSA-N
MW206.08 g/mol
LogP1.25
Rot. Bonds1

About 2-bromo-N,N,1-trimethylcyclopropane-1-carboxamide

2-bromo-N,N,1-trimethylcyclopropane-1-carboxamide (PubChem CID 12537186) has the molecular formula C7H12BrNO and a molecular weight of 206.08 g/mol. Its IUPAC name is 2-bromo-N,N,1-trimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-bromo-N,N,1-trimethylcyclopropane-1-carboxamide
PubChem CID12537186
Molecular FormulaC7H12BrNO
Molecular Weight206.08 g/mol
Exact Mass205.01
IUPAC Name2-bromo-N,N,1-trimethylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)C1(C)CC1Br
InChIInChI=1S/C7H12BrNO/c1-7(4-5(7)8)6(10)9(2)3/h5H,4H2,1-3H3
InChIKeyIANZWHRIULQIMO-UHFFFAOYSA-N
XLogP1.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 98511309
trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid
CID 6355513
N,N,1,2,2-pentamethylcyclopropane-1-carboxamide
CID 22287124
(5R)-N,N-dimethyl-2-(2-methylpropanoyl)-2-azabicyclo[3.1.0]hexane-1-carboxamide
CID 170060595
(1S,2R,4S)-2-hydroxy-N,N,3,3-tetramethylbicyclo[2.2.1]heptane-1-carboxamide
CID 124510978
(1R,4S,6S)-6-bromo-4-(dibromomethyl)-N,N,5,5-tetramethylbicyclo[2.1.1]hexane-1-carboxamide
CID 98142940
N,N,3,3-tetramethylcyclobutane-1-carboxamide
CID 45123501
2-bromo-N-[4-(dimethylamino)phenyl]-1-methylcyclopropane-1-carboxamide
CID 70609542
(1R,2R,4R)-2-hydroxy-N,N,7,7-tetramethylbicyclo[2.2.1]heptane-1-carboxamide
CID 129374807
(1R,2S,3R)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-carboxamide
CID 25098819
(1S,2R,3S)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-carboxamide
CID 102475439
3-amino-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide
CID 134166286

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N,1-trimethylcyclopropane-1-carboxamide?
The IUPAC name of 2-bromo-N,N,1-trimethylcyclopropane-1-carboxamide (CID 12537186) is 2-bromo-N,N,1-trimethylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-bromo-N,N,1-trimethylcyclopropane-1-carboxamide?
The canonical SMILES for 2-bromo-N,N,1-trimethylcyclopropane-1-carboxamide is CN(C)C(=O)C1(C)CC1Br.
What is the InChIKey of 2-bromo-N,N,1-trimethylcyclopropane-1-carboxamide?
The InChIKey is IANZWHRIULQIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNO/c1-7(4-5(7)8)6(10)9(2)3/h5H,4H2,1-3H3.
What are the key properties of 2-bromo-N,N,1-trimethylcyclopropane-1-carboxamide?
2-bromo-N,N,1-trimethylcyclopropane-1-carboxamide has a molecular weight of 206.08 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N,1-trimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 12537186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).