dinaphthalen-2-yl-[(2R)-pyrrolidin-1-ium-2-yl]methanol

C25H24NO+ — CID 7020306

IUPACdinaphthalen-2-yl-[(2R)-pyrrolidin-1-ium-2-yl]methanol
SMILESOC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)[C@H]1CCC[NH2+]1
InChIInChI=1S/C25H23NO/c27-25(24-10-5-15-26-24,22-13-11-18-6-1-3-8-20(18)16-22)23-14-12-19-7-2-4-9-21(19)17-23/h1-4,6-9,11-14,16-17,24,26-27H,5,10,15H2/p+1/t24-/m1/s1
InChIKeyLNUDNNFEXRHHGY-XMMPIXPASA-O
MW354.47 g/mol
LogP3.95
Rot. Bonds3

About dinaphthalen-2-yl-[(2R)-pyrrolidin-1-ium-2-yl]methanol

dinaphthalen-2-yl-[(2R)-pyrrolidin-1-ium-2-yl]methanol (PubChem CID 7020306) has the molecular formula C25H24NO+ and a molecular weight of 354.47 g/mol. Its IUPAC name is dinaphthalen-2-yl-[(2R)-pyrrolidin-1-ium-2-yl]methanol.

Molecular Properties

Compound Namedinaphthalen-2-yl-[(2R)-pyrrolidin-1-ium-2-yl]methanol
PubChem CID7020306
Molecular FormulaC25H24NO+
Molecular Weight354.47 g/mol
Exact Mass354.19
IUPAC Namedinaphthalen-2-yl-[(2R)-pyrrolidin-1-ium-2-yl]methanol
SMILESOC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)[C@H]1CCC[NH2+]1
InChIInChI=1S/C25H23NO/c27-25(24-10-5-15-26-24,22-13-11-18-6-1-3-8-20(18)16-22)23-14-12-19-7-2-4-9-21(19)17-23/h1-4,6-9,11-14,16-17,24,26-27H,5,10,15H2/p+1/t24-/m1/s1
InChIKeyLNUDNNFEXRHHGY-XMMPIXPASA-O
XLogP3.95
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dinaphthalen-2-yl-[(2R)-pyrrolidin-1-ium-2-yl]methanol?
The IUPAC name of dinaphthalen-2-yl-[(2R)-pyrrolidin-1-ium-2-yl]methanol (CID 7020306) is dinaphthalen-2-yl-[(2R)-pyrrolidin-1-ium-2-yl]methanol.
What is the SMILES notation for dinaphthalen-2-yl-[(2R)-pyrrolidin-1-ium-2-yl]methanol?
The canonical SMILES for dinaphthalen-2-yl-[(2R)-pyrrolidin-1-ium-2-yl]methanol is OC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)[C@H]1CCC[NH2+]1.
What is the InChIKey of dinaphthalen-2-yl-[(2R)-pyrrolidin-1-ium-2-yl]methanol?
The InChIKey is LNUDNNFEXRHHGY-XMMPIXPASA-O. The full InChI is InChI=1S/C25H23NO/c27-25(24-10-5-15-26-24,22-13-11-18-6-1-3-8-20(18)16-22)23-14-12-19-7-2-4-9-21(19)17-23/h1-4,6-9,11-14,16-17,24,26-27H,5,10,15H2/p+1/t24-/m1/s1.
What are the key properties of dinaphthalen-2-yl-[(2R)-pyrrolidin-1-ium-2-yl]methanol?
dinaphthalen-2-yl-[(2R)-pyrrolidin-1-ium-2-yl]methanol has a molecular weight of 354.47 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dinaphthalen-2-yl-[(2R)-pyrrolidin-1-ium-2-yl]methanol is sourced from PubChem (CID 7020306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).