1-(4-bromophenyl)pyrrolidin-3-ol

C10H12BrNO — CID 59158899

IUPAC1-(4-bromophenyl)pyrrolidin-3-ol
SMILESOC1CCN(c2ccc(Br)cc2)C1
InChIInChI=1S/C10H12BrNO/c11-8-1-3-9(4-2-8)12-6-5-10(13)7-12/h1-4,10,13H,5-7H2
InChIKeyVXAGQCJOIGKVLU-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.02
Rot. Bonds1

About 1-(4-bromophenyl)pyrrolidin-3-ol

1-(4-bromophenyl)pyrrolidin-3-ol (PubChem CID 59158899) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 1-(4-bromophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)pyrrolidin-3-ol
PubChem CID59158899
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name1-(4-bromophenyl)pyrrolidin-3-ol
SMILESOC1CCN(c2ccc(Br)cc2)C1
InChIInChI=1S/C10H12BrNO/c11-8-1-3-9(4-2-8)12-6-5-10(13)7-12/h1-4,10,13H,5-7H2
InChIKeyVXAGQCJOIGKVLU-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)pyrrolidin-3-ol?
The IUPAC name of 1-(4-bromophenyl)pyrrolidin-3-ol (CID 59158899) is 1-(4-bromophenyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(4-bromophenyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(4-bromophenyl)pyrrolidin-3-ol is OC1CCN(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)pyrrolidin-3-ol?
The InChIKey is VXAGQCJOIGKVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-8-1-3-9(4-2-8)12-6-5-10(13)7-12/h1-4,10,13H,5-7H2.
What are the key properties of 1-(4-bromophenyl)pyrrolidin-3-ol?
1-(4-bromophenyl)pyrrolidin-3-ol has a molecular weight of 242.12 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 59158899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).