N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide

C12H18BrNO — CID 115456224

IUPACN-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NCC1(CBr)CC1)C1CC2CC2C1
InChIInChI=1S/C12H18BrNO/c13-6-12(1-2-12)7-14-11(15)10-4-8-3-9(8)5-10/h8-10H,1-7H2,(H,14,15)
InChIKeyHWECDXSJXMXMDX-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.32
Rot. Bonds4

About N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide

N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 115456224) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID115456224
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC NameN-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NCC1(CBr)CC1)C1CC2CC2C1
InChIInChI=1S/C12H18BrNO/c13-6-12(1-2-12)7-14-11(15)10-4-8-3-9(8)5-10/h8-10H,1-7H2,(H,14,15)
InChIKeyHWECDXSJXMXMDX-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
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-(hydroxymethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 115455350
N-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide
CID 115456256
N-[[1-(bromomethyl)cyclopentyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 114097212
N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 115456221
N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclobutanecarboxamide
CID 114758299
N-[[1-(bromomethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127754
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-cyclopropylacetamide
CID 115456501
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
CID 80717782
4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114101646
N-(2-bromopropyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 114308880
N-[[1-(bromomethyl)cyclopentyl]methyl]thiane-2-carboxamide
CID 115364206
N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide
CID 103969527

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide (CID 115456224) is N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide is O=C(NCC1(CBr)CC1)C1CC2CC2C1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is HWECDXSJXMXMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c13-6-12(1-2-12)7-14-11(15)10-4-8-3-9(8)5-10/h8-10H,1-7H2,(H,14,15).
What are the key properties of N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide?
N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 272.19 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 115456224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).