[2-(3-bromopropyl)pyrrolidin-1-yl]-cyclopentylmethanone

C13H22BrNO — CID 80676795

IUPAC[2-(3-bromopropyl)pyrrolidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCCC1CCCBr
InChIInChI=1S/C13H22BrNO/c14-9-3-7-12-8-4-10-15(12)13(16)11-5-1-2-6-11/h11-12H,1-10H2
InChIKeySLCHTSRZUGJVOB-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.34
Rot. Bonds4

About [2-(3-bromopropyl)pyrrolidin-1-yl]-cyclopentylmethanone

[2-(3-bromopropyl)pyrrolidin-1-yl]-cyclopentylmethanone (PubChem CID 80676795) has the molecular formula C13H22BrNO and a molecular weight of 288.23 g/mol. Its IUPAC name is [2-(3-bromopropyl)pyrrolidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[2-(3-bromopropyl)pyrrolidin-1-yl]-cyclopentylmethanone
PubChem CID80676795
Molecular FormulaC13H22BrNO
Molecular Weight288.23 g/mol
Exact Mass287.09
IUPAC Name[2-(3-bromopropyl)pyrrolidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCCC1CCCBr
InChIInChI=1S/C13H22BrNO/c14-9-3-7-12-8-4-10-15(12)13(16)11-5-1-2-6-11/h11-12H,1-10H2
InChIKeySLCHTSRZUGJVOB-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.34
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-bromopropyl)pyrrolidin-1-yl]-(3,3-difluorocyclohexyl)methanone
CID 114226636
[2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 80660817
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
[2-(2-aminoethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63755194
1-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-cyclohexylpropan-1-one
CID 80675414
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
[2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63395604
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
[4-(aminomethyl)cyclohexyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62806429
cyclopropyl-[2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 62468618
cyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 65023261
1-[2-(3-bromopropyl)pyrrolidin-1-yl]-2-cyclopropylpropan-1-one
CID 83150427

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromopropyl)pyrrolidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [2-(3-bromopropyl)pyrrolidin-1-yl]-cyclopentylmethanone (CID 80676795) is [2-(3-bromopropyl)pyrrolidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [2-(3-bromopropyl)pyrrolidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [2-(3-bromopropyl)pyrrolidin-1-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CCCC1CCCBr.
What is the InChIKey of [2-(3-bromopropyl)pyrrolidin-1-yl]-cyclopentylmethanone?
The InChIKey is SLCHTSRZUGJVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO/c14-9-3-7-12-8-4-10-15(12)13(16)11-5-1-2-6-11/h11-12H,1-10H2.
What are the key properties of [2-(3-bromopropyl)pyrrolidin-1-yl]-cyclopentylmethanone?
[2-(3-bromopropyl)pyrrolidin-1-yl]-cyclopentylmethanone has a molecular weight of 288.23 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromopropyl)pyrrolidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 80676795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).