[2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone

C15H19BrN2O — CID 63007252

IUPAC[2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CCCC1c1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O/c16-13-4-1-3-11(9-13)14-5-2-8-18(14)15(19)12-6-7-17-10-12/h1,3-4,9,12,14,17H,2,5-8,10H2
InChIKeyZTRCZMKVMATDQZ-UHFFFAOYSA-N
MW323.23 g/mol
LogP2.72
Rot. Bonds2

About [2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone

[2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone (PubChem CID 63007252) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is [2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name[2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
PubChem CID63007252
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name[2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CCCC1c1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O/c16-13-4-1-3-11(9-13)14-5-2-8-18(14)15(19)12-6-7-17-10-12/h1,3-4,9,12,14,17H,2,5-8,10H2
InChIKeyZTRCZMKVMATDQZ-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-bromophenyl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 81128440
[2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119721878
(2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone
CID 119737819
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119700020
[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 119299890
[2-(3-bromophenyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 104913404
(3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119727217
[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119299881
[2-(3-methylphenyl)azepan-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119328737
(4-amino-1H-pyrazol-5-yl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone
CID 63103415
[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119765016
3-amino-1-[2-(3-bromophenyl)pyrrolidin-1-yl]propan-1-one
CID 54872368

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
The IUPAC name of [2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone (CID 63007252) is [2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone is O=C(C1CCNC1)N1CCCC1c1cccc(Br)c1.
What is the InChIKey of [2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
The InChIKey is ZTRCZMKVMATDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c16-13-4-1-3-11(9-13)14-5-2-8-18(14)15(19)12-6-7-17-10-12/h1,3-4,9,12,14,17H,2,5-8,10H2.
What are the key properties of [2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
[2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone has a molecular weight of 323.23 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 63007252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).