N-[1-(bromomethyl)cyclopentyl]butanamide

C10H18BrNO — CID 114311287

IUPACN-[1-(bromomethyl)cyclopentyl]butanamide
SMILESCCCC(=O)NC1(CBr)CCCC1
InChIInChI=1S/C10H18BrNO/c1-2-5-9(13)12-10(8-11)6-3-4-7-10/h2-8H2,1H3,(H,12,13)
InChIKeyZTQXFYKEYWTOLS-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.61
Rot. Bonds4

About N-[1-(bromomethyl)cyclopentyl]butanamide

N-[1-(bromomethyl)cyclopentyl]butanamide (PubChem CID 114311287) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]butanamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]butanamide
PubChem CID114311287
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC NameN-[1-(bromomethyl)cyclopentyl]butanamide
SMILESCCCC(=O)NC1(CBr)CCCC1
InChIInChI=1S/C10H18BrNO/c1-2-5-9(13)12-10(8-11)6-3-4-7-10/h2-8H2,1H3,(H,12,13)
InChIKeyZTQXFYKEYWTOLS-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.61
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]hexanamide
CID 114311357
N-[1-(bromomethyl)cyclohexyl]-3-(4-methylphenyl)propanamide
CID 114314101
N-[1-(bromomethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide
CID 114311375
N-[1-(hydroxymethyl)cyclopentyl]heptanamide
CID 62518617
N-[1-(bromomethyl)cyclohexyl]-2-cyclopentylacetamide
CID 114314127
N-[1-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide
CID 113275527
N-[1-(bromomethyl)cyclobutyl]-1-methylcyclopropane-1-carboxamide
CID 126981194
1-(butanoylamino)cyclobutane-1-carboxylic acid
CID 81158952
N-[1-(bromomethyl)cyclohexyl]-3-methyl-2-propan-2-ylbutanamide
CID 114282347
N-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide
CID 114459158
N-[1-(bromomethyl)cyclohexyl]-3-(furan-2-yl)propanamide
CID 113275468
N-[1-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride
CID 119566129

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]butanamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]butanamide (CID 114311287) is N-[1-(bromomethyl)cyclopentyl]butanamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]butanamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]butanamide is CCCC(=O)NC1(CBr)CCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]butanamide?
The InChIKey is ZTQXFYKEYWTOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-2-5-9(13)12-10(8-11)6-3-4-7-10/h2-8H2,1H3,(H,12,13).
What are the key properties of N-[1-(bromomethyl)cyclopentyl]butanamide?
N-[1-(bromomethyl)cyclopentyl]butanamide has a molecular weight of 248.16 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]butanamide is sourced from PubChem (CID 114311287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).