N-(1-bromo-2-methylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide

C11H18BrNO — CID 114308166

IUPACN-(1-bromo-2-methylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(C)(CBr)NC(=O)C1CC2CC2C1
InChIInChI=1S/C11H18BrNO/c1-11(2,6-12)13-10(14)9-4-7-3-8(7)5-9/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyXRZNSWPOGOMQAV-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.32
Rot. Bonds3

About N-(1-bromo-2-methylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide

N-(1-bromo-2-methylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 114308166) has the molecular formula C11H18BrNO and a molecular weight of 260.17 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID114308166
Molecular FormulaC11H18BrNO
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(C)(CBr)NC(=O)C1CC2CC2C1
InChIInChI=1S/C11H18BrNO/c1-11(2,6-12)13-10(14)9-4-7-3-8(7)5-9/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyXRZNSWPOGOMQAV-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.32
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-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622783
N-(1-bromo-2-methylpropan-2-yl)adamantane-1-carboxamide
CID 114307951
N-(1-methoxy-2-methylpropan-2-yl)cyclopropanecarboxamide
CID 115606636
N-(2-methyl-1-methylsulfanylpropan-2-yl)cyclopropanecarboxamide
CID 167004925
N-(4-hydroxy-2-methylbutan-2-yl)cyclobutanecarboxamide
CID 115869890
N-(1-amino-2-methylpropan-2-yl)azetidine-3-carboxamide
CID 130616999
N-(2-bromopropyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 114308880
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 86789781
2-(1-adamantyl)-N-(1-bromo-2-methylpropan-2-yl)acetamide
CID 113274075
3-(cyclopent-3-ene-1-carbonylamino)-3-methylbutanoic acid
CID 64767006
N-(1-bromo-2-methylbutan-2-yl)cyclopentanecarboxamide
CID 114314310
N-(1-hydroxy-2-methylpropan-2-yl)piperidin-1-ium-4-carboxamide
CID 7172191

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide (CID 114308166) is N-(1-bromo-2-methylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide is CC(C)(CBr)NC(=O)C1CC2CC2C1.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is XRZNSWPOGOMQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO/c1-11(2,6-12)13-10(14)9-4-7-3-8(7)5-9/h7-9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide?
N-(1-bromo-2-methylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 260.17 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 114308166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).