N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide

C9H16BrNO — CID 115594433

IUPACN-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide
SMILESC=C(Br)CNC(=O)CC(C)(C)C
InChIInChI=1S/C9H16BrNO/c1-7(10)6-11-8(12)5-9(2,3)4/h1,5-6H2,2-4H3,(H,11,12)
InChIKeyUALRCTMFHGOUIG-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.45
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide

N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide (PubChem CID 115594433) has the molecular formula C9H16BrNO and a molecular weight of 234.14 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide
PubChem CID115594433
Molecular FormulaC9H16BrNO
Molecular Weight234.14 g/mol
Exact Mass233.04
IUPAC NameN-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide
SMILESC=C(Br)CNC(=O)CC(C)(C)C
InChIInChI=1S/C9H16BrNO/c1-7(10)6-11-8(12)5-9(2,3)4/h1,5-6H2,2-4H3,(H,11,12)
InChIKeyUALRCTMFHGOUIG-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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
2-bromo-2-ethyl-N-prop-2-enylbutanamide
CID 252018
3,3-dimethyl-N-prop-2-enylbutanamide
CID 222589
N-(2-bromoprop-2-enyl)-2,2-dimethylpropanamide
CID 299380
N-(2-bromoethyl)-3,3-dimethylbutanamide
CID 4634726
N-(2-bromoethyl)-2,2-dimethylbutanamide
CID 4635236
2,2-dimethyl-N-prop-2-enylbutanamide
CID 20669576
but-1-ene;2,2-dimethyl-N-prop-2-enylbutanamide
CID 90948367
2,2,3-trimethyl-N-prop-2-enylbutanamide
CID 129176718
2,2-dibromo-1-methyl-N-(prop-2-en-1-yl)cyclopropanecarboxamide
CID 2844906
(1R)-2,2-dibromo-1-methyl-N-prop-2-enylcyclopropane-1-carboxamide
CID 7442539
(1S)-2,2-dibromo-1-methyl-N-prop-2-enylcyclopropane-1-carboxamide
CID 7442542

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide (CID 115594433) is N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide is C=C(Br)CNC(=O)CC(C)(C)C.
What is the InChIKey of N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide?
The InChIKey is UALRCTMFHGOUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO/c1-7(10)6-11-8(12)5-9(2,3)4/h1,5-6H2,2-4H3,(H,11,12).
What are the key properties of N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide?
N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide has a molecular weight of 234.14 g/mol, XLogP of 2.45, 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)-3,3-dimethylbutanamide is sourced from PubChem (CID 115594433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).