[(2S,5S)-5-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidin-2-yl]methanol

C17H21NO2 — CID 154844051

IUPAC[(2S,5S)-5-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CC[C@@H](CO)N1Cc1ccc2ccccc2c1
InChIInChI=1S/C17H21NO2/c19-11-16-7-8-17(12-20)18(16)10-13-5-6-14-3-1-2-4-15(14)9-13/h1-6,9,16-17,19-20H,7-8,10-12H2/t16-,17-/m0/s1
InChIKeyVDSPRKWJLBRWIO-IRXDYDNUSA-N
MW271.36 g/mol
LogP2.16
Rot. Bonds4

About [(2S,5S)-5-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidin-2-yl]methanol

[(2S,5S)-5-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidin-2-yl]methanol (PubChem CID 154844051) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [(2S,5S)-5-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-5-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidin-2-yl]methanol
PubChem CID154844051
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[(2S,5S)-5-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CC[C@@H](CO)N1Cc1ccc2ccccc2c1
InChIInChI=1S/C17H21NO2/c19-11-16-7-8-17(12-20)18(16)10-13-5-6-14-3-1-2-4-15(14)9-13/h1-6,9,16-17,19-20H,7-8,10-12H2/t16-,17-/m0/s1
InChIKeyVDSPRKWJLBRWIO-IRXDYDNUSA-N
XLogP2.16
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,5S)-5-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidin-2-yl]methanol (CID 154844051) is [(2S,5S)-5-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-5-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,5S)-5-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidin-2-yl]methanol is OC[C@@H]1CC[C@@H](CO)N1Cc1ccc2ccccc2c1.
What is the InChIKey of [(2S,5S)-5-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidin-2-yl]methanol?
The InChIKey is VDSPRKWJLBRWIO-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H21NO2/c19-11-16-7-8-17(12-20)18(16)10-13-5-6-14-3-1-2-4-15(14)9-13/h1-6,9,16-17,19-20H,7-8,10-12H2/t16-,17-/m0/s1.
What are the key properties of [(2S,5S)-5-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidin-2-yl]methanol?
[(2S,5S)-5-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidin-2-yl]methanol has a molecular weight of 271.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 154844051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).