N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide

C13H20BrNO — CID 115456221

IUPACN-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NCC1(CBr)CC1)C1C2CCCCC21
InChIInChI=1S/C13H20BrNO/c14-7-13(5-6-13)8-15-12(16)11-9-3-1-2-4-10(9)11/h9-11H,1-8H2,(H,15,16)
InChIKeyUFACMTVFMKOXHM-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.71
Rot. Bonds4

About N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide

N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 115456221) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID115456221
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC NameN-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NCC1(CBr)CC1)C1C2CCCCC21
InChIInChI=1S/C13H20BrNO/c14-7-13(5-6-13)8-15-12(16)11-9-3-1-2-4-10(9)11/h9-11H,1-8H2,(H,15,16)
InChIKeyUFACMTVFMKOXHM-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.71
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-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide
CID 115456256
N-[[1-(bromomethyl)cyclopentyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 114097212
(1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99786429
N-(4-bromobutyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 106845738
N-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119404189
N-[[1-(bromomethyl)cyclopentyl]methyl]thiane-2-carboxamide
CID 115364206
N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 115456224
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 120887599
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-cyclopentylpropanamide
CID 115456298
N-[(4-hydroxyoxan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 79209200
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-cyclopropylacetamide
CID 115456501
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
CID 80717782

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide (CID 115456221) is N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide is O=C(NCC1(CBr)CC1)C1C2CCCCC21.
What is the InChIKey of N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is UFACMTVFMKOXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c14-7-13(5-6-13)8-15-12(16)11-9-3-1-2-4-10(9)11/h9-11H,1-8H2,(H,15,16).
What are the key properties of N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide?
N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 286.21 g/mol, XLogP of 2.71, 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[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 115456221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).