N-(2-methylprop-2-enyl)-N-propan-2-ylcarbamoyl bromide

C8H14BrNO — CID 174390327

IUPACN-(2-methylprop-2-enyl)-N-propan-2-ylcarbamoyl bromide
SMILESC=C(C)CN(C(=O)Br)C(C)C
InChIInChI=1S/C8H14BrNO/c1-6(2)5-10(7(3)4)8(9)11/h7H,1,5H2,2-4H3
InChIKeyKEILMFGTLLDWTO-UHFFFAOYSA-N
MW220.11 g/mol
LogP2.79
Rot. Bonds3

About N-(2-methylprop-2-enyl)-N-propan-2-ylcarbamoyl bromide

N-(2-methylprop-2-enyl)-N-propan-2-ylcarbamoyl bromide (PubChem CID 174390327) has the molecular formula C8H14BrNO and a molecular weight of 220.11 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-N-propan-2-ylcarbamoyl bromide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-N-propan-2-ylcarbamoyl bromide
PubChem CID174390327
Molecular FormulaC8H14BrNO
Molecular Weight220.11 g/mol
Exact Mass219.03
IUPAC NameN-(2-methylprop-2-enyl)-N-propan-2-ylcarbamoyl bromide
SMILESC=C(C)CN(C(=O)Br)C(C)C
InChIInChI=1S/C8H14BrNO/c1-6(2)5-10(7(3)4)8(9)11/h7H,1,5H2,2-4H3
InChIKeyKEILMFGTLLDWTO-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-N-propan-2-ylcarbamoyl bromide?
The IUPAC name of N-(2-methylprop-2-enyl)-N-propan-2-ylcarbamoyl bromide (CID 174390327) is N-(2-methylprop-2-enyl)-N-propan-2-ylcarbamoyl bromide.
What is the SMILES notation for N-(2-methylprop-2-enyl)-N-propan-2-ylcarbamoyl bromide?
The canonical SMILES for N-(2-methylprop-2-enyl)-N-propan-2-ylcarbamoyl bromide is C=C(C)CN(C(=O)Br)C(C)C.
What is the InChIKey of N-(2-methylprop-2-enyl)-N-propan-2-ylcarbamoyl bromide?
The InChIKey is KEILMFGTLLDWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO/c1-6(2)5-10(7(3)4)8(9)11/h7H,1,5H2,2-4H3.
What are the key properties of N-(2-methylprop-2-enyl)-N-propan-2-ylcarbamoyl bromide?
N-(2-methylprop-2-enyl)-N-propan-2-ylcarbamoyl bromide has a molecular weight of 220.11 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-N-propan-2-ylcarbamoyl bromide is sourced from PubChem (CID 174390327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).