N-[[1-(bromomethyl)cyclopropyl]methyl]-2-cyclopropylacetamide

C10H16BrNO — CID 115456501

IUPACN-[[1-(bromomethyl)cyclopropyl]methyl]-2-cyclopropylacetamide
SMILESO=C(CC1CC1)NCC1(CBr)CC1
InChIInChI=1S/C10H16BrNO/c11-6-10(3-4-10)7-12-9(13)5-8-1-2-8/h8H,1-7H2,(H,12,13)
InChIKeyYSTBOWHTFFDEQD-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.08
Rot. Bonds5

About N-[[1-(bromomethyl)cyclopropyl]methyl]-2-cyclopropylacetamide

N-[[1-(bromomethyl)cyclopropyl]methyl]-2-cyclopropylacetamide (PubChem CID 115456501) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopropyl]methyl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopropyl]methyl]-2-cyclopropylacetamide
PubChem CID115456501
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC NameN-[[1-(bromomethyl)cyclopropyl]methyl]-2-cyclopropylacetamide
SMILESO=C(CC1CC1)NCC1(CBr)CC1
InChIInChI=1S/C10H16BrNO/c11-6-10(3-4-10)7-12-9(13)5-8-1-2-8/h8H,1-7H2,(H,12,13)
InChIKeyYSTBOWHTFFDEQD-UHFFFAOYSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.08
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]-3-cyclopentylpropanamide
CID 115456298
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclopentylacetamide
CID 115456696
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-(3-ethoxycyclobutyl)acetamide
CID 103166823
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-cyclobutylacetamide
CID 103167045
N-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide
CID 115456256
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide
CID 103167014
2-(4-aminocyclohexyl)-N-[(1-methylcyclopentyl)methyl]acetamide
CID 55260453
2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid
CID 114457209
N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide
CID 103969670
2-(azetidin-3-yl)-N-[(1-ethylcyclopropyl)methyl]acetamide
CID 103810817
N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 115456221
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 154911412

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-2-cyclopropylacetamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-2-cyclopropylacetamide (CID 115456501) is N-[[1-(bromomethyl)cyclopropyl]methyl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopropyl]methyl]-2-cyclopropylacetamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopropyl]methyl]-2-cyclopropylacetamide is O=C(CC1CC1)NCC1(CBr)CC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopropyl]methyl]-2-cyclopropylacetamide?
The InChIKey is YSTBOWHTFFDEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c11-6-10(3-4-10)7-12-9(13)5-8-1-2-8/h8H,1-7H2,(H,12,13).
What are the key properties of N-[[1-(bromomethyl)cyclopropyl]methyl]-2-cyclopropylacetamide?
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-cyclopropylacetamide has a molecular weight of 246.15 g/mol, XLogP of 2.08, 5 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]-2-cyclopropylacetamide is sourced from PubChem (CID 115456501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).