[(2S)-pyrrolidin-2-yl]-(9H-xanthen-9-yl)methanone

C18H17NO2 — CID 175844218

IUPAC[(2S)-pyrrolidin-2-yl]-(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)[C@@H]1CCCN1
InChIInChI=1S/C18H17NO2/c20-18(14-8-5-11-19-14)17-12-6-1-3-9-15(12)21-16-10-4-2-7-13(16)17/h1-4,6-7,9-10,14,17,19H,5,8,11H2/t14-/m0/s1
InChIKeyZNEUKHNWACDVMM-AWEZNQCLSA-N
MW279.34 g/mol
LogP3.25
Rot. Bonds2

About [(2S)-pyrrolidin-2-yl]-(9H-xanthen-9-yl)methanone

[(2S)-pyrrolidin-2-yl]-(9H-xanthen-9-yl)methanone (PubChem CID 175844218) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is [(2S)-pyrrolidin-2-yl]-(9H-xanthen-9-yl)methanone.

Molecular Properties

Compound Name[(2S)-pyrrolidin-2-yl]-(9H-xanthen-9-yl)methanone
PubChem CID175844218
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name[(2S)-pyrrolidin-2-yl]-(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)[C@@H]1CCCN1
InChIInChI=1S/C18H17NO2/c20-18(14-8-5-11-19-14)17-12-6-1-3-9-15(12)21-16-10-4-2-7-13(16)17/h1-4,6-7,9-10,14,17,19H,5,8,11H2/t14-/m0/s1
InChIKeyZNEUKHNWACDVMM-AWEZNQCLSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-pyrrolidin-2-yl]-(9H-xanthen-9-yl)methanone?
The IUPAC name of [(2S)-pyrrolidin-2-yl]-(9H-xanthen-9-yl)methanone (CID 175844218) is [(2S)-pyrrolidin-2-yl]-(9H-xanthen-9-yl)methanone.
What is the SMILES notation for [(2S)-pyrrolidin-2-yl]-(9H-xanthen-9-yl)methanone?
The canonical SMILES for [(2S)-pyrrolidin-2-yl]-(9H-xanthen-9-yl)methanone is O=C(C1c2ccccc2Oc2ccccc21)[C@@H]1CCCN1.
What is the InChIKey of [(2S)-pyrrolidin-2-yl]-(9H-xanthen-9-yl)methanone?
The InChIKey is ZNEUKHNWACDVMM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17NO2/c20-18(14-8-5-11-19-14)17-12-6-1-3-9-15(12)21-16-10-4-2-7-13(16)17/h1-4,6-7,9-10,14,17,19H,5,8,11H2/t14-/m0/s1.
What are the key properties of [(2S)-pyrrolidin-2-yl]-(9H-xanthen-9-yl)methanone?
[(2S)-pyrrolidin-2-yl]-(9H-xanthen-9-yl)methanone has a molecular weight of 279.34 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pyrrolidin-2-yl]-(9H-xanthen-9-yl)methanone is sourced from PubChem (CID 175844218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).