(2S)-3-methoxy-2-naphthalen-2-yl-2,5-dihydro-1H-pyrrole

C15H15NO — CID 102375989

IUPAC(2S)-3-methoxy-2-naphthalen-2-yl-2,5-dihydro-1H-pyrrole
SMILESCOC1=CCN[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C15H15NO/c1-17-14-8-9-16-15(14)13-7-6-11-4-2-3-5-12(11)10-13/h2-8,10,15-16H,9H2,1H3/t15-/m0/s1
InChIKeyCIVGIGZYNQHYDR-HNNXBMFYSA-N
MW225.29 g/mol
LogP3.01
Rot. Bonds2

About (2S)-3-methoxy-2-naphthalen-2-yl-2,5-dihydro-1H-pyrrole

(2S)-3-methoxy-2-naphthalen-2-yl-2,5-dihydro-1H-pyrrole (PubChem CID 102375989) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is (2S)-3-methoxy-2-naphthalen-2-yl-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name(2S)-3-methoxy-2-naphthalen-2-yl-2,5-dihydro-1H-pyrrole
PubChem CID102375989
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name(2S)-3-methoxy-2-naphthalen-2-yl-2,5-dihydro-1H-pyrrole
SMILESCOC1=CCN[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C15H15NO/c1-17-14-8-9-16-15(14)13-7-6-11-4-2-3-5-12(11)10-13/h2-8,10,15-16H,9H2,1H3/t15-/m0/s1
InChIKeyCIVGIGZYNQHYDR-HNNXBMFYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methoxy-2-naphthalen-2-yl-2,5-dihydro-1H-pyrrole?
The IUPAC name of (2S)-3-methoxy-2-naphthalen-2-yl-2,5-dihydro-1H-pyrrole (CID 102375989) is (2S)-3-methoxy-2-naphthalen-2-yl-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for (2S)-3-methoxy-2-naphthalen-2-yl-2,5-dihydro-1H-pyrrole?
The canonical SMILES for (2S)-3-methoxy-2-naphthalen-2-yl-2,5-dihydro-1H-pyrrole is COC1=CCN[C@H]1c1ccc2ccccc2c1.
What is the InChIKey of (2S)-3-methoxy-2-naphthalen-2-yl-2,5-dihydro-1H-pyrrole?
The InChIKey is CIVGIGZYNQHYDR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15NO/c1-17-14-8-9-16-15(14)13-7-6-11-4-2-3-5-12(11)10-13/h2-8,10,15-16H,9H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-3-methoxy-2-naphthalen-2-yl-2,5-dihydro-1H-pyrrole?
(2S)-3-methoxy-2-naphthalen-2-yl-2,5-dihydro-1H-pyrrole has a molecular weight of 225.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methoxy-2-naphthalen-2-yl-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 102375989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).