(2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

C12H14BrNO2 — CID 62348185

IUPAC(2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCC(CO)C1
InChIInChI=1S/C12H14BrNO2/c13-11-4-2-1-3-10(11)12(16)14-6-5-9(7-14)8-15/h1-4,9,15H,5-8H2
InChIKeyYCVUESDMEQNGBK-UHFFFAOYSA-N
MW284.15 g/mol
LogP1.90
Rot. Bonds2

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

(2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 62348185) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is (2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID62348185
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name(2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCC(CO)C1
InChIInChI=1S/C12H14BrNO2/c13-11-4-2-1-3-10(11)12(16)14-6-5-9(7-14)8-15/h1-4,9,15H,5-8H2
InChIKeyYCVUESDMEQNGBK-UHFFFAOYSA-N
XLogP1.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
(2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60776073
[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 43403148
(2-chloro-3-pyridinyl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 97169687
(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203060
(5-bromo-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370584
(2-amino-3-fluorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625110
[4-(2-aminooxyethyl)piperidin-1-yl]-(2-bromophenyl)methanone
CID 84607755
(2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370762
(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone
CID 2842644
(2-bromophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995656
(3-bromo-2-ethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 146464564

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 62348185) is (2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(c1ccccc1Br)N1CCC(CO)C1.
What is the InChIKey of (2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is YCVUESDMEQNGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-11-4-2-1-3-10(11)12(16)14-6-5-9(7-14)8-15/h1-4,9,15H,5-8H2.
What are the key properties of (2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 284.15 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 62348185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).