N-(cyclobutylmethyl)-N-methylcarbamoyl bromide

C7H12BrNO — CID 115193856

IUPACN-(cyclobutylmethyl)-N-methylcarbamoyl bromide
SMILESCN(CC1CCC1)C(=O)Br
InChIInChI=1S/C7H12BrNO/c1-9(7(8)10)5-6-3-2-4-6/h6H,2-5H2,1H3
InChIKeyVDPPJXGLPXQBJD-UHFFFAOYSA-N
MW206.08 g/mol
LogP2.23
Rot. Bonds2

About N-(cyclobutylmethyl)-N-methylcarbamoyl bromide

N-(cyclobutylmethyl)-N-methylcarbamoyl bromide (PubChem CID 115193856) has the molecular formula C7H12BrNO and a molecular weight of 206.08 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-methylcarbamoyl bromide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-methylcarbamoyl bromide
PubChem CID115193856
Molecular FormulaC7H12BrNO
Molecular Weight206.08 g/mol
Exact Mass205.01
IUPAC NameN-(cyclobutylmethyl)-N-methylcarbamoyl bromide
SMILESCN(CC1CCC1)C(=O)Br
InChIInChI=1S/C7H12BrNO/c1-9(7(8)10)5-6-3-2-4-6/h6H,2-5H2,1H3
InChIKeyVDPPJXGLPXQBJD-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 52.23
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-(cyclobutylmethyl)-N-methylcarbamoyl bromide?
The IUPAC name of N-(cyclobutylmethyl)-N-methylcarbamoyl bromide (CID 115193856) is N-(cyclobutylmethyl)-N-methylcarbamoyl bromide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-methylcarbamoyl bromide?
The canonical SMILES for N-(cyclobutylmethyl)-N-methylcarbamoyl bromide is CN(CC1CCC1)C(=O)Br.
What is the InChIKey of N-(cyclobutylmethyl)-N-methylcarbamoyl bromide?
The InChIKey is VDPPJXGLPXQBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNO/c1-9(7(8)10)5-6-3-2-4-6/h6H,2-5H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-N-methylcarbamoyl bromide?
N-(cyclobutylmethyl)-N-methylcarbamoyl bromide has a molecular weight of 206.08 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-methylcarbamoyl bromide is sourced from PubChem (CID 115193856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).