[(2R)-2-naphthalen-1-ylpyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone

C19H21NO2 — CID 95587901

IUPAC[(2R)-2-naphthalen-1-ylpyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
SMILESO=C([C@H]1CCOC1)N1CCC[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C19H21NO2/c21-19(15-10-12-22-13-15)20-11-4-9-18(20)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15,18H,4,9-13H2/t15-,18+/m0/s1
InChIKeyKLUXZOJIVMEHPP-MAUKXSAKSA-N
MW295.38 g/mol
LogP3.54
Rot. Bonds2

About [(2R)-2-naphthalen-1-ylpyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone

[(2R)-2-naphthalen-1-ylpyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone (PubChem CID 95587901) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is [(2R)-2-naphthalen-1-ylpyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-naphthalen-1-ylpyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
PubChem CID95587901
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name[(2R)-2-naphthalen-1-ylpyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
SMILESO=C([C@H]1CCOC1)N1CCC[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C19H21NO2/c21-19(15-10-12-22-13-15)20-11-4-9-18(20)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15,18H,4,9-13H2/t15-,18+/m0/s1
InChIKeyKLUXZOJIVMEHPP-MAUKXSAKSA-N
XLogP3.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one
CID 56819311
morpholin-2-yl-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119749313
2-naphthalen-1-yl-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47849269
[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone
CID 60575634
3-amino-1-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119950579
4-[(2-naphthalen-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 122021478
2-(1,4-dihydroxycyclohexyl)-1-(2-naphthalen-1-ylpyrrolidin-1-yl)ethanone
CID 166218782
[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95294899
2-naphthalen-1-yl-1-[(2-naphthalen-1-ylpyrrolidin-1-yl)methyl]pyrrolidine
CID 143922780
(2S)-N'-(2-methylbenzoyl)-2-naphthalen-1-ylpyrrolidine-1-carbohydrazide
CID 97196920
[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587857
[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587858

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-naphthalen-1-ylpyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone?
The IUPAC name of [(2R)-2-naphthalen-1-ylpyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone (CID 95587901) is [(2R)-2-naphthalen-1-ylpyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone.
What is the SMILES notation for [(2R)-2-naphthalen-1-ylpyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone?
The canonical SMILES for [(2R)-2-naphthalen-1-ylpyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone is O=C([C@H]1CCOC1)N1CCC[C@@H]1c1cccc2ccccc12.
What is the InChIKey of [(2R)-2-naphthalen-1-ylpyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone?
The InChIKey is KLUXZOJIVMEHPP-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19(15-10-12-22-13-15)20-11-4-9-18(20)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15,18H,4,9-13H2/t15-,18+/m0/s1.
What are the key properties of [(2R)-2-naphthalen-1-ylpyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone?
[(2R)-2-naphthalen-1-ylpyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone has a molecular weight of 295.38 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-naphthalen-1-ylpyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone is sourced from PubChem (CID 95587901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).