N-(2-bromoprop-2-enyl)-2,2-dimethylbutanamide

C9H16BrNO — CID 115605601

IUPACN-(2-bromoprop-2-enyl)-2,2-dimethylbutanamide
SMILESC=C(Br)CNC(=O)C(C)(C)CC
InChIInChI=1S/C9H16BrNO/c1-5-9(3,4)8(12)11-6-7(2)10/h2,5-6H2,1,3-4H3,(H,11,12)
InChIKeyWWINESYBTHWQIU-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.45
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-2,2-dimethylbutanamide

N-(2-bromoprop-2-enyl)-2,2-dimethylbutanamide (PubChem CID 115605601) has the molecular formula C9H16BrNO and a molecular weight of 234.14 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2,2-dimethylbutanamide
PubChem CID115605601
Molecular FormulaC9H16BrNO
Molecular Weight234.14 g/mol
Exact Mass233.04
IUPAC NameN-(2-bromoprop-2-enyl)-2,2-dimethylbutanamide
SMILESC=C(Br)CNC(=O)C(C)(C)CC
InChIInChI=1S/C9H16BrNO/c1-5-9(3,4)8(12)11-6-7(2)10/h2,5-6H2,1,3-4H3,(H,11,12)
InChIKeyWWINESYBTHWQIU-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Butyramide, N-(2-bromoallyl)-
CID 57964
3,3-dimethyl-N-prop-2-enylbutanamide
CID 222589
N-(2-bromoprop-2-enyl)-2,2-dimethylpropanamide
CID 299380
2,2-dimethyl-N-prop-2-enylbutanamide
CID 20669576
2-bromo-N-(2,2-dimethylbutyl)-2-methylpropanamide
CID 103460984
(2S)-2-amino-N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide
CID 103809904
(2R)-2-amino-N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide
CID 104861240
N-(2-bromopropyl)-2,2-dimethylbutanamide
CID 114308772
N-(2-bromopropyl)-3,3-dimethylbutanamide
CID 114308892
2-bromo-3-methyl-N-(2-methylprop-2-enyl)butanamide
CID 114615976
2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide
CID 114618641
3,3-dimethyl-N-(2-methylprop-2-enyl)butanamide
CID 114618899

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2,2-dimethylbutanamide (CID 115605601) is N-(2-bromoprop-2-enyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2,2-dimethylbutanamide is C=C(Br)CNC(=O)C(C)(C)CC.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2,2-dimethylbutanamide?
The InChIKey is WWINESYBTHWQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO/c1-5-9(3,4)8(12)11-6-7(2)10/h2,5-6H2,1,3-4H3,(H,11,12).
What are the key properties of N-(2-bromoprop-2-enyl)-2,2-dimethylbutanamide?
N-(2-bromoprop-2-enyl)-2,2-dimethylbutanamide has a molecular weight of 234.14 g/mol, XLogP of 2.45, 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)-2,2-dimethylbutanamide is sourced from PubChem (CID 115605601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).