4-pyrrolidin-3-ylphenol;hydrobromide

C10H14BrNO — CID 91623789

IUPAC4-pyrrolidin-3-ylphenol;hydrobromide
SMILESBr.Oc1ccc(C2CCNC2)cc1
InChIInChI=1S/C10H13NO.BrH/c12-10-3-1-8(2-4-10)9-5-6-11-7-9;/h1-4,9,11-12H,5-7H2;1H
InChIKeySPKXTLWWFWSGLG-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.05
Rot. Bonds1

About 4-pyrrolidin-3-ylphenol;hydrobromide

4-pyrrolidin-3-ylphenol;hydrobromide (PubChem CID 91623789) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 4-pyrrolidin-3-ylphenol;hydrobromide.

Molecular Properties

Compound Name4-pyrrolidin-3-ylphenol;hydrobromide
PubChem CID91623789
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name4-pyrrolidin-3-ylphenol;hydrobromide
SMILESBr.Oc1ccc(C2CCNC2)cc1
InChIInChI=1S/C10H13NO.BrH/c12-10-3-1-8(2-4-10)9-5-6-11-7-9;/h1-4,9,11-12H,5-7H2;1H
InChIKeySPKXTLWWFWSGLG-UHFFFAOYSA-N
XLogP2.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-ylphenol;hydrobromide?
The IUPAC name of 4-pyrrolidin-3-ylphenol;hydrobromide (CID 91623789) is 4-pyrrolidin-3-ylphenol;hydrobromide.
What is the SMILES notation for 4-pyrrolidin-3-ylphenol;hydrobromide?
The canonical SMILES for 4-pyrrolidin-3-ylphenol;hydrobromide is Br.Oc1ccc(C2CCNC2)cc1.
What is the InChIKey of 4-pyrrolidin-3-ylphenol;hydrobromide?
The InChIKey is SPKXTLWWFWSGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.BrH/c12-10-3-1-8(2-4-10)9-5-6-11-7-9;/h1-4,9,11-12H,5-7H2;1H.
What are the key properties of 4-pyrrolidin-3-ylphenol;hydrobromide?
4-pyrrolidin-3-ylphenol;hydrobromide has a molecular weight of 244.13 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-ylphenol;hydrobromide is sourced from PubChem (CID 91623789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).