N-[1-(bromomethyl)cyclobutyl]-1-methylcyclopropane-1-carboxamide

C10H16BrNO — CID 126981194

IUPACN-[1-(bromomethyl)cyclobutyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NC2(CBr)CCC2)CC1
InChIInChI=1S/C10H16BrNO/c1-9(5-6-9)8(13)12-10(7-11)3-2-4-10/h2-7H2,1H3,(H,12,13)
InChIKeyWARABACDBTUVJE-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.22
Rot. Bonds3

About N-[1-(bromomethyl)cyclobutyl]-1-methylcyclopropane-1-carboxamide

N-[1-(bromomethyl)cyclobutyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 126981194) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclobutyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclobutyl]-1-methylcyclopropane-1-carboxamide
PubChem CID126981194
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC NameN-[1-(bromomethyl)cyclobutyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NC2(CBr)CCC2)CC1
InChIInChI=1S/C10H16BrNO/c1-9(5-6-9)8(13)12-10(7-11)3-2-4-10/h2-7H2,1H3,(H,12,13)
InChIKeyWARABACDBTUVJE-UHFFFAOYSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.22
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)cyclopentyl]-1-methylcyclopentane-1-carboxamide
CID 114311375
N-[1-(bromomethyl)-3-methylcyclohexyl]-1-methylcyclohexane-1-carboxamide
CID 106829038
N-[1-(bromomethyl)cyclohexyl]-2-methylthiolane-2-carboxamide
CID 114314189
N-[1-(bromomethyl)cyclopentyl]butanamide
CID 114311287
N-[1-(bromomethyl)cyclohexyl]-3-methyl-2-propan-2-ylbutanamide
CID 114282347
N-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide
CID 114459158
3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 113274839
N-[1-(bromomethyl)cyclopentyl]hexanamide
CID 114311357
N-[1-(bromomethyl)cyclohexyl]-2-cyclopentylacetamide
CID 114314127
N-[1-(bromomethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003340
1-methyl-N-[(1-methylcyclobutyl)methyl]cyclopropane-1-carboxamide
CID 126990723
methyl N-[[1-(bromomethyl)cyclobutyl]sulfamoyl]carbamate
CID 114466957

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclobutyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(bromomethyl)cyclobutyl]-1-methylcyclopropane-1-carboxamide (CID 126981194) is N-[1-(bromomethyl)cyclobutyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclobutyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(bromomethyl)cyclobutyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NC2(CBr)CCC2)CC1.
What is the InChIKey of N-[1-(bromomethyl)cyclobutyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is WARABACDBTUVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c1-9(5-6-9)8(13)12-10(7-11)3-2-4-10/h2-7H2,1H3,(H,12,13).
What are the key properties of N-[1-(bromomethyl)cyclobutyl]-1-methylcyclopropane-1-carboxamide?
N-[1-(bromomethyl)cyclobutyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 246.15 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclobutyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 126981194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).