N-bromo-2,3-dimethylbut-2-enamide

C6H10BrNO — CID 175154463

IUPACN-bromo-2,3-dimethylbut-2-enamide
SMILESCC(C)=C(C)C(=O)NBr
InChIInChI=1S/C6H10BrNO/c1-4(2)5(3)6(9)8-7/h1-3H3,(H,8,9)
InChIKeyBZCYRIFTSZTAGR-UHFFFAOYSA-N
MW192.06 g/mol
LogP1.77
Rot. Bonds1

About N-bromo-2,3-dimethylbut-2-enamide

N-bromo-2,3-dimethylbut-2-enamide (PubChem CID 175154463) has the molecular formula C6H10BrNO and a molecular weight of 192.06 g/mol. Its IUPAC name is N-bromo-2,3-dimethylbut-2-enamide.

Molecular Properties

Compound NameN-bromo-2,3-dimethylbut-2-enamide
PubChem CID175154463
Molecular FormulaC6H10BrNO
Molecular Weight192.06 g/mol
Exact Mass190.99
IUPAC NameN-bromo-2,3-dimethylbut-2-enamide
SMILESCC(C)=C(C)C(=O)NBr
InChIInChI=1S/C6H10BrNO/c1-4(2)5(3)6(9)8-7/h1-3H3,(H,8,9)
InChIKeyBZCYRIFTSZTAGR-UHFFFAOYSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.06
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-N-(2-methylprop-2-enoyl)but-2-enamide
CID 175801770
ethane;N-formyl-2,3-dimethylbut-2-enamide
CID 142271872
2-(2,3-dimethylbut-2-enoylamino)ethylazanium chloride
CID 139668609
N-(1-hydroxypropan-2-yl)-2,3-dimethylbut-2-enamide
CID 130679388
2,3-dimethyl-N-(2-oxobutyl)but-2-enamide
CID 91262324
tetramethyl (4Z)-2,7-dimethylocta-2,4,6-triene-2,3,4,5-tetracarboxylate
CID 100993196
carbonic acid;2,3-dimethylbut-2-enoic acid
CID 175072330
acetic acid;oxalic acid;hydrate
CID 175212371
N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dimethylbut-2-enamide
CID 130884658
methanol;propan-2-one;dihydrate
CID 158013024
acetic acid;decahydrate
CID 163997764
methanol;propan-2-one;hydrate
CID 86590524

Frequently Asked Questions

What is the IUPAC name of N-bromo-2,3-dimethylbut-2-enamide?
The IUPAC name of N-bromo-2,3-dimethylbut-2-enamide (CID 175154463) is N-bromo-2,3-dimethylbut-2-enamide.
What is the SMILES notation for N-bromo-2,3-dimethylbut-2-enamide?
The canonical SMILES for N-bromo-2,3-dimethylbut-2-enamide is CC(C)=C(C)C(=O)NBr.
What is the InChIKey of N-bromo-2,3-dimethylbut-2-enamide?
The InChIKey is BZCYRIFTSZTAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrNO/c1-4(2)5(3)6(9)8-7/h1-3H3,(H,8,9).
What are the key properties of N-bromo-2,3-dimethylbut-2-enamide?
N-bromo-2,3-dimethylbut-2-enamide has a molecular weight of 192.06 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-2,3-dimethylbut-2-enamide is sourced from PubChem (CID 175154463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).