3-pyrrolidin-3-ylphenol

C10H13NO — CID 12937992

IUPAC3-pyrrolidin-3-ylphenol
SMILESOc1cccc(C2CCNC2)c1
InChIInChI=1S/C10H13NO/c12-10-3-1-2-8(6-10)9-4-5-11-7-9/h1-3,6,9,11-12H,4-5,7H2
InChIKeyBSVULIRVFCFZPE-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.47
Rot. Bonds1

About 3-pyrrolidin-3-ylphenol

3-pyrrolidin-3-ylphenol (PubChem CID 12937992) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-pyrrolidin-3-ylphenol.

Molecular Properties

Compound Name3-pyrrolidin-3-ylphenol
PubChem CID12937992
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-pyrrolidin-3-ylphenol
SMILESOc1cccc(C2CCNC2)c1
InChIInChI=1S/C10H13NO/c12-10-3-1-2-8(6-10)9-4-5-11-7-9/h1-3,6,9,11-12H,4-5,7H2
InChIKeyBSVULIRVFCFZPE-UHFFFAOYSA-N
XLogP1.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-ylphenol?
The IUPAC name of 3-pyrrolidin-3-ylphenol (CID 12937992) is 3-pyrrolidin-3-ylphenol.
What is the SMILES notation for 3-pyrrolidin-3-ylphenol?
The canonical SMILES for 3-pyrrolidin-3-ylphenol is Oc1cccc(C2CCNC2)c1.
What is the InChIKey of 3-pyrrolidin-3-ylphenol?
The InChIKey is BSVULIRVFCFZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c12-10-3-1-2-8(6-10)9-4-5-11-7-9/h1-3,6,9,11-12H,4-5,7H2.
What are the key properties of 3-pyrrolidin-3-ylphenol?
3-pyrrolidin-3-ylphenol has a molecular weight of 163.22 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-ylphenol is sourced from PubChem (CID 12937992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).