(S)-phenyl-(1-pyrrolidin-1-ylcyclopentyl)methanol

C16H23NO — CID 124515845

IUPAC(S)-phenyl-(1-pyrrolidin-1-ylcyclopentyl)methanol
SMILESO[C@@H](c1ccccc1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H23NO/c18-15(14-8-2-1-3-9-14)16(10-4-5-11-16)17-12-6-7-13-17/h1-3,8-9,15,18H,4-7,10-13H2/t15-/m0/s1
InChIKeyUXXMWGUOPQVHCK-HNNXBMFYSA-N
MW245.37 g/mol
LogP3.13
Rot. Bonds3

About (S)-phenyl-(1-pyrrolidin-1-ylcyclopentyl)methanol

(S)-phenyl-(1-pyrrolidin-1-ylcyclopentyl)methanol (PubChem CID 124515845) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (S)-phenyl-(1-pyrrolidin-1-ylcyclopentyl)methanol.

Molecular Properties

Compound Name(S)-phenyl-(1-pyrrolidin-1-ylcyclopentyl)methanol
PubChem CID124515845
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(S)-phenyl-(1-pyrrolidin-1-ylcyclopentyl)methanol
SMILESO[C@@H](c1ccccc1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H23NO/c18-15(14-8-2-1-3-9-14)16(10-4-5-11-16)17-12-6-7-13-17/h1-3,8-9,15,18H,4-7,10-13H2/t15-/m0/s1
InChIKeyUXXMWGUOPQVHCK-HNNXBMFYSA-N
XLogP3.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-phenyl-(1-pyrrolidin-1-ylcyclopentyl)methanol?
The IUPAC name of (S)-phenyl-(1-pyrrolidin-1-ylcyclopentyl)methanol (CID 124515845) is (S)-phenyl-(1-pyrrolidin-1-ylcyclopentyl)methanol.
What is the SMILES notation for (S)-phenyl-(1-pyrrolidin-1-ylcyclopentyl)methanol?
The canonical SMILES for (S)-phenyl-(1-pyrrolidin-1-ylcyclopentyl)methanol is O[C@@H](c1ccccc1)C1(N2CCCC2)CCCC1.
What is the InChIKey of (S)-phenyl-(1-pyrrolidin-1-ylcyclopentyl)methanol?
The InChIKey is UXXMWGUOPQVHCK-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23NO/c18-15(14-8-2-1-3-9-14)16(10-4-5-11-16)17-12-6-7-13-17/h1-3,8-9,15,18H,4-7,10-13H2/t15-/m0/s1.
What are the key properties of (S)-phenyl-(1-pyrrolidin-1-ylcyclopentyl)methanol?
(S)-phenyl-(1-pyrrolidin-1-ylcyclopentyl)methanol has a molecular weight of 245.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-phenyl-(1-pyrrolidin-1-ylcyclopentyl)methanol is sourced from PubChem (CID 124515845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).