N-methyl-N-propan-2-ylcarbamoyl bromide

C5H10BrNO — CID 115193360

IUPACN-methyl-N-propan-2-ylcarbamoyl bromide
SMILESCC(C)N(C)C(=O)Br
InChIInChI=1S/C5H10BrNO/c1-4(2)7(3)5(6)8/h4H,1-3H3
InChIKeyJMDPPGTZGYJISU-UHFFFAOYSA-N
MW180.04 g/mol
LogP1.84
Rot. Bonds1

About N-methyl-N-propan-2-ylcarbamoyl bromide

N-methyl-N-propan-2-ylcarbamoyl bromide (PubChem CID 115193360) has the molecular formula C5H10BrNO and a molecular weight of 180.04 g/mol. Its IUPAC name is N-methyl-N-propan-2-ylcarbamoyl bromide.

Molecular Properties

Compound NameN-methyl-N-propan-2-ylcarbamoyl bromide
PubChem CID115193360
Molecular FormulaC5H10BrNO
Molecular Weight180.04 g/mol
Exact Mass178.99
IUPAC NameN-methyl-N-propan-2-ylcarbamoyl bromide
SMILESCC(C)N(C)C(=O)Br
InChIInChI=1S/C5H10BrNO/c1-4(2)7(3)5(6)8/h4H,1-3H3
InChIKeyJMDPPGTZGYJISU-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.04
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', '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-methyl-N-propan-2-ylcarbamoyl bromide?
The IUPAC name of N-methyl-N-propan-2-ylcarbamoyl bromide (CID 115193360) is N-methyl-N-propan-2-ylcarbamoyl bromide.
What is the SMILES notation for N-methyl-N-propan-2-ylcarbamoyl bromide?
The canonical SMILES for N-methyl-N-propan-2-ylcarbamoyl bromide is CC(C)N(C)C(=O)Br.
What is the InChIKey of N-methyl-N-propan-2-ylcarbamoyl bromide?
The InChIKey is JMDPPGTZGYJISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrNO/c1-4(2)7(3)5(6)8/h4H,1-3H3.
What are the key properties of N-methyl-N-propan-2-ylcarbamoyl bromide?
N-methyl-N-propan-2-ylcarbamoyl bromide has a molecular weight of 180.04 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-ylcarbamoyl bromide is sourced from PubChem (CID 115193360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).