N-(2-bromoprop-2-enyl)-2,2-dimethylcyclopropane-1-carboxamide

C9H14BrNO — CID 103837428

IUPACN-(2-bromoprop-2-enyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1CC1(C)C
InChIInChI=1S/C9H14BrNO/c1-6(10)5-11-8(12)7-4-9(7,2)3/h7H,1,4-5H2,2-3H3,(H,11,12)
InChIKeyOBENRLIDQHZZRU-UHFFFAOYSA-N
MW232.12 g/mol
LogP2.06
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-2,2-dimethylcyclopropane-1-carboxamide

N-(2-bromoprop-2-enyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 103837428) has the molecular formula C9H14BrNO and a molecular weight of 232.12 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID103837428
Molecular FormulaC9H14BrNO
Molecular Weight232.12 g/mol
Exact Mass231.03
IUPAC NameN-(2-bromoprop-2-enyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1CC1(C)C
InChIInChI=1S/C9H14BrNO/c1-6(10)5-11-8(12)7-4-9(7,2)3/h7H,1,4-5H2,2-3H3,(H,11,12)
InChIKeyOBENRLIDQHZZRU-UHFFFAOYSA-N
XLogP2.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromoprop-2-enyl)-2,2-difluoro-3-methylcyclopropane-1-carboxamide
CID 130668503
2-cyclopropyl-N-prop-2-enylpropanamide
CID 79505886
3-(2,2-dibromoethenyl)-N-ethyl-2,2-dimethylcyclopropane-1-carboxamide
CID 88875360
N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide;ethane
CID 178010423
N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide
CID 178010424
N-[(E)-but-2-enyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 178011599
N-[(E)-but-2-enyl]-2,2-dimethylcyclopropane-1-carboxamide;ethane
CID 178011685
2,2,3,3-tetramethyl-N-prop-2-enylcyclopropane-1-carboxamide
CID 66476353
N-(2-bromoethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66478068
2,2-dimethyl-N-prop-2-enylcyclopropane-1-carboxamide
CID 103837190
N-(2-chloroprop-2-enyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837904
2,2-dimethyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide
CID 104952912

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 103837428) is N-(2-bromoprop-2-enyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2,2-dimethylcyclopropane-1-carboxamide is C=C(Br)CNC(=O)C1CC1(C)C.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is OBENRLIDQHZZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO/c1-6(10)5-11-8(12)7-4-9(7,2)3/h7H,1,4-5H2,2-3H3,(H,11,12).
What are the key properties of N-(2-bromoprop-2-enyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-(2-bromoprop-2-enyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 232.12 g/mol, XLogP of 2.06, 3 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)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 103837428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).