N-(3-bicyclo[3.1.0]hexanyl)-2-bromo-2-methylpropanamide

C10H16BrNO — CID 130951926

IUPACN-(3-bicyclo[3.1.0]hexanyl)-2-bromo-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NC1CC2CC2C1
InChIInChI=1S/C10H16BrNO/c1-10(2,11)9(13)12-8-4-6-3-7(6)5-8/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyCDKBMASRVGTBNY-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.07
Rot. Bonds2

About N-(3-bicyclo[3.1.0]hexanyl)-2-bromo-2-methylpropanamide

N-(3-bicyclo[3.1.0]hexanyl)-2-bromo-2-methylpropanamide (PubChem CID 130951926) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is N-(3-bicyclo[3.1.0]hexanyl)-2-bromo-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-bicyclo[3.1.0]hexanyl)-2-bromo-2-methylpropanamide
PubChem CID130951926
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC NameN-(3-bicyclo[3.1.0]hexanyl)-2-bromo-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NC1CC2CC2C1
InChIInChI=1S/C10H16BrNO/c1-10(2,11)9(13)12-8-4-6-3-7(6)5-8/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyCDKBMASRVGTBNY-UHFFFAOYSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.07
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

N-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-2-fluoro-2-methylpropanamide
CID 130612782
N-(2-bicyclo[3.1.0]hexanyl)-2-bromo-2,2-difluoroacetamide
CID 130626238
N-(6-bicyclo[3.1.0]hexanyl)-2-bromo-2,2-difluoroacetamide
CID 130875476
N-(6-bicyclo[3.1.0]hexanyl)-2-fluoro-2-methylpropanamide
CID 131042097
2-Bromo-n-{6,6-difluorobicyclo[3.1.0]hexan-3-yl}acetamide
CID 164654780
2-Bromo-n-{6,6-difluorobicyclo[3.1.0]hexan-3-yl}propanamide
CID 164654784
N-(2-bicyclo[3.1.0]hexanyl)acetamide
CID 53776784
N-(3-methylcyclopentyl)cyclopropanecarboxamide
CID 114541443
ethane;N-[[3-(ethylamino)cyclopentyl]methyl]cyclopropanecarboxamide
CID 178010553
N-[[3-(methylamino)cyclopentyl]methyl]cyclopropanecarboxamide
CID 178011274
N-(3-ethylcyclopentyl)cyclopropanecarboxamide
CID 178177126
N-[(1R,2S,5S)-2-bicyclo[3.1.0]hexanyl]acetamide
CID 55300980

Frequently Asked Questions

What is the IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)-2-bromo-2-methylpropanamide?
The IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)-2-bromo-2-methylpropanamide (CID 130951926) is N-(3-bicyclo[3.1.0]hexanyl)-2-bromo-2-methylpropanamide.
What is the SMILES notation for N-(3-bicyclo[3.1.0]hexanyl)-2-bromo-2-methylpropanamide?
The canonical SMILES for N-(3-bicyclo[3.1.0]hexanyl)-2-bromo-2-methylpropanamide is CC(C)(Br)C(=O)NC1CC2CC2C1.
What is the InChIKey of N-(3-bicyclo[3.1.0]hexanyl)-2-bromo-2-methylpropanamide?
The InChIKey is CDKBMASRVGTBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c1-10(2,11)9(13)12-8-4-6-3-7(6)5-8/h6-8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-(3-bicyclo[3.1.0]hexanyl)-2-bromo-2-methylpropanamide?
N-(3-bicyclo[3.1.0]hexanyl)-2-bromo-2-methylpropanamide has a molecular weight of 246.15 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bicyclo[3.1.0]hexanyl)-2-bromo-2-methylpropanamide is sourced from PubChem (CID 130951926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).