[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

C16H21NO2 — CID 66262203

IUPAC[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCC2)N1CCC[C@H]1CO
InChIInChI=1S/C16H21NO2/c18-11-15-6-3-9-17(15)16(19)14-8-7-12-4-1-2-5-13(12)10-14/h7-8,10,15,18H,1-6,9,11H2/t15-/m0/s1
InChIKeyLXDZWWGBTFXSBE-HNNXBMFYSA-N
MW259.35 g/mol
LogP2.16
Rot. Bonds2

About [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (PubChem CID 66262203) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
PubChem CID66262203
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCC2)N1CCC[C@H]1CO
InChIInChI=1S/C16H21NO2/c18-11-15-6-3-9-17(15)16(19)14-8-7-12-4-1-2-5-13(12)10-14/h7-8,10,15,18H,1-6,9,11H2/t15-/m0/s1
InChIKeyLXDZWWGBTFXSBE-HNNXBMFYSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (CID 66262203) is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is O=C(c1ccc2c(c1)CCCC2)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is LXDZWWGBTFXSBE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-11-15-6-3-9-17(15)16(19)14-8-7-12-4-1-2-5-13(12)10-14/h7-8,10,15,18H,1-6,9,11H2/t15-/m0/s1.
What are the key properties of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 259.35 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 66262203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).