[(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954
2H-benzimidazol-2-yl-[(2S)-pyrrolidin-2-yl]methanone
CID 67816214
N-[3-(cyclononylmethoxy)-9H-xanthen-9-yl]pyrrolidine-2-carboxamide
CID 123841065
9H-fluoren-9-yl (2S)-pyrrolidine-2-carboxylate
CID 175310399
(2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119685148
N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 550989
bis[(2S)-piperidin-2-yl]methanone
CID 174971247
cyclohexylmethyl 9H-xanthene-9-carboxylate
CID 7716785
(2S)-N-benzhydrylpyrrolidine-2-carboxamide
CID 10663256
phenyl-[(2S)-pyrrolidin-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 21080202
(4-cyclobutyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone
CID 131703888
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxamide
CID 119331744

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).