1-phenyl-5-propan-2-ylpyrrolidin-3-ol

C13H19NO — CID 154695322

IUPAC1-phenyl-5-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)C1CC(O)CN1c1ccccc1
InChIInChI=1S/C13H19NO/c1-10(2)13-8-12(15)9-14(13)11-6-4-3-5-7-11/h3-7,10,12-13,15H,8-9H2,1-2H3
InChIKeyVYEWHESZFDSFOA-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.28
Rot. Bonds2

About 1-phenyl-5-propan-2-ylpyrrolidin-3-ol

1-phenyl-5-propan-2-ylpyrrolidin-3-ol (PubChem CID 154695322) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-phenyl-5-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-phenyl-5-propan-2-ylpyrrolidin-3-ol
PubChem CID154695322
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-phenyl-5-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)C1CC(O)CN1c1ccccc1
InChIInChI=1S/C13H19NO/c1-10(2)13-8-12(15)9-14(13)11-6-4-3-5-7-11/h3-7,10,12-13,15H,8-9H2,1-2H3
InChIKeyVYEWHESZFDSFOA-UHFFFAOYSA-N
XLogP2.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of 1-phenyl-5-propan-2-ylpyrrolidin-3-ol (CID 154695322) is 1-phenyl-5-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for 1-phenyl-5-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for 1-phenyl-5-propan-2-ylpyrrolidin-3-ol is CC(C)C1CC(O)CN1c1ccccc1.
What is the InChIKey of 1-phenyl-5-propan-2-ylpyrrolidin-3-ol?
The InChIKey is VYEWHESZFDSFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)13-8-12(15)9-14(13)11-6-4-3-5-7-11/h3-7,10,12-13,15H,8-9H2,1-2H3.
What are the key properties of 1-phenyl-5-propan-2-ylpyrrolidin-3-ol?
1-phenyl-5-propan-2-ylpyrrolidin-3-ol has a molecular weight of 205.30 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 154695322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).