[2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone

C15H18BrNO — CID 80678065

IUPAC[2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCCC1CBr)C1(c2ccccc2)CC1
InChIInChI=1S/C15H18BrNO/c16-11-13-7-4-10-17(13)14(18)15(8-9-15)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChIKeyFFPZUVQPHGSDBK-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.10
Rot. Bonds3

About [2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone

[2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 80678065) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is [2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID80678065
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name[2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCCC1CBr)C1(c2ccccc2)CC1
InChIInChI=1S/C15H18BrNO/c16-11-13-7-4-10-17(13)14(18)15(8-9-15)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChIKeyFFPZUVQPHGSDBK-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-chloropropyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 63395719
1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 43239493
[2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone
CID 43421113
[2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 63249167
(2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone
CID 110487740
2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923128
[1-(4-chlorophenyl)cyclopropyl]-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 11695010
(2R)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 78922091
2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926063
ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 144893493
[2-(bromomethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone
CID 80677593
[1-(4-chlorophenyl)cyclopropyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636296

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone (CID 80678065) is [2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone is O=C(N1CCCC1CBr)C1(c2ccccc2)CC1.
What is the InChIKey of [2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is FFPZUVQPHGSDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c16-11-13-7-4-10-17(13)14(18)15(8-9-15)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2.
What are the key properties of [2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
[2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 308.22 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 80678065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).