1-[2-[2-(bromomethyl)cyclopropyl]pyrrolidin-1-yl]ethanone

C10H16BrNO — CID 130138354

IUPAC1-[2-[2-(bromomethyl)cyclopropyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1C1CC1CBr
InChIInChI=1S/C10H16BrNO/c1-7(13)12-4-2-3-10(12)9-5-8(9)6-11/h8-10H,2-6H2,1H3
InChIKeyWWEPIRSEVYCCAZ-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.03
Rot. Bonds2

About 1-[2-[2-(bromomethyl)cyclopropyl]pyrrolidin-1-yl]ethanone

1-[2-[2-(bromomethyl)cyclopropyl]pyrrolidin-1-yl]ethanone (PubChem CID 130138354) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is 1-[2-[2-(bromomethyl)cyclopropyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(bromomethyl)cyclopropyl]pyrrolidin-1-yl]ethanone
PubChem CID130138354
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC Name1-[2-[2-(bromomethyl)cyclopropyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1C1CC1CBr
InChIInChI=1S/C10H16BrNO/c1-7(13)12-4-2-3-10(12)9-5-8(9)6-11/h8-10H,2-6H2,1H3
InChIKeyWWEPIRSEVYCCAZ-UHFFFAOYSA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[2-[2-(bromomethyl)cyclopropyl]pyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-(chloromethyl)cyclopropyl]piperidin-1-yl]ethanone
CID 130138213
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
1-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]ethanone
CID 124874523
1-[(4S,4aR,8aR)-4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 7107075
(4aS,7aS)-1-acetyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid
CID 167740733
1-[(7R,8aR)-5-(bromomethyl)-7-methyl-3,4,6,7,8,8a-hexahydro-2H-quinolin-1-yl]ethanone
CID 45101642
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
1-acetylpyrrolidine-2-carbonyl fluoride;difluoromethane;ethane
CID 143011981
3-(bromomethyl)-2-methylpyrrolidine-1-carboxylic acid
CID 139490802
1-[(2S)-2-[(2S)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95305573
tert-butyl (2S)-2-[(1R,2S)-2-aminocyclohexyl]pyrrolidine-1-carboxylate
CID 97159702
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-bromo-2-methylpropan-1-one
CID 114328811

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(bromomethyl)cyclopropyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[2-(bromomethyl)cyclopropyl]pyrrolidin-1-yl]ethanone (CID 130138354) is 1-[2-[2-(bromomethyl)cyclopropyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(bromomethyl)cyclopropyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[2-(bromomethyl)cyclopropyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1C1CC1CBr.
What is the InChIKey of 1-[2-[2-(bromomethyl)cyclopropyl]pyrrolidin-1-yl]ethanone?
The InChIKey is WWEPIRSEVYCCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c1-7(13)12-4-2-3-10(12)9-5-8(9)6-11/h8-10H,2-6H2,1H3.
What are the key properties of 1-[2-[2-(bromomethyl)cyclopropyl]pyrrolidin-1-yl]ethanone?
1-[2-[2-(bromomethyl)cyclopropyl]pyrrolidin-1-yl]ethanone has a molecular weight of 246.15 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(bromomethyl)cyclopropyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 130138354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).