2-bromo-N-(3-methylcyclobutyl)acetamide

C7H12BrNO — CID 67085205

IUPAC2-bromo-N-(3-methylcyclobutyl)acetamide
SMILESCC1CC(NC(=O)CBr)C1
InChIInChI=1S/C7H12BrNO/c1-5-2-6(3-5)9-7(10)4-8/h5-6H,2-4H2,1H3,(H,9,10)
InChIKeyNPOVLXGJPRXGEC-UHFFFAOYSA-N
MW206.08 g/mol
LogP1.30
Rot. Bonds2

About 2-bromo-N-(3-methylcyclobutyl)acetamide

2-bromo-N-(3-methylcyclobutyl)acetamide (PubChem CID 67085205) has the molecular formula C7H12BrNO and a molecular weight of 206.08 g/mol. Its IUPAC name is 2-bromo-N-(3-methylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(3-methylcyclobutyl)acetamide
PubChem CID67085205
Molecular FormulaC7H12BrNO
Molecular Weight206.08 g/mol
Exact Mass205.01
IUPAC Name2-bromo-N-(3-methylcyclobutyl)acetamide
SMILESCC1CC(NC(=O)CBr)C1
InChIInChI=1S/C7H12BrNO/c1-5-2-6(3-5)9-7(10)4-8/h5-6H,2-4H2,1H3,(H,9,10)
InChIKeyNPOVLXGJPRXGEC-UHFFFAOYSA-N
XLogP1.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

CID 23368636
CID 23368636
CID 141110765
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CID 126995643
CID 126995643
CID 44542668
CID 44542668
CID 54179178
CID 54179178
CID 58748925
CID 58748925
CID 63679666
CID 63679666
CID 67085156
CID 67085156
CID 90168764
CID 90168764
CID 115670946
CID 115670946
CID 132159710
CID 132159710
CID 173749208
CID 173749208

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-methylcyclobutyl)acetamide?
The IUPAC name of 2-bromo-N-(3-methylcyclobutyl)acetamide (CID 67085205) is 2-bromo-N-(3-methylcyclobutyl)acetamide.
What is the SMILES notation for 2-bromo-N-(3-methylcyclobutyl)acetamide?
The canonical SMILES for 2-bromo-N-(3-methylcyclobutyl)acetamide is CC1CC(NC(=O)CBr)C1.
What is the InChIKey of 2-bromo-N-(3-methylcyclobutyl)acetamide?
The InChIKey is NPOVLXGJPRXGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNO/c1-5-2-6(3-5)9-7(10)4-8/h5-6H,2-4H2,1H3,(H,9,10).
What are the key properties of 2-bromo-N-(3-methylcyclobutyl)acetamide?
2-bromo-N-(3-methylcyclobutyl)acetamide has a molecular weight of 206.08 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-methylcyclobutyl)acetamide is sourced from PubChem (CID 67085205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).