[(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone

C18H21NO3 — CID 97470449

IUPAC[(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCO[C@H]1CCN(C(=O)c2ccoc2C)[C@H]1Cc1ccccc1
InChIInChI=1S/C18H21NO3/c1-13-15(9-11-22-13)18(20)19-10-8-17(21-2)16(19)12-14-6-4-3-5-7-14/h3-7,9,11,16-17H,8,10,12H2,1-2H3/t16-,17-/m0/s1
InChIKeyBTRBZKJDJLWAAU-IRXDYDNUSA-N
MW299.37 g/mol
LogP3.06
Rot. Bonds4

About [(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone

[(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 97470449) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is [(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID97470449
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name[(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCO[C@H]1CCN(C(=O)c2ccoc2C)[C@H]1Cc1ccccc1
InChIInChI=1S/C18H21NO3/c1-13-15(9-11-22-13)18(20)19-10-8-17(21-2)16(19)12-14-6-4-3-5-7-14/h3-7,9,11,16-17H,8,10,12H2,1-2H3/t16-,17-/m0/s1
InChIKeyBTRBZKJDJLWAAU-IRXDYDNUSA-N
XLogP3.06
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 124806862
[(2S,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 97470131
[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 133140606
[(2S,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 97470128
[(2S,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 97470329
[(3aS,7R,7aS)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(2-methylfuran-3-yl)methanone
CID 97484389
[(4R,4aS,7aS)-6-ethyl-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-(2-methylfuran-3-yl)methanone
CID 97420741
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 102787648
3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 45238924
[(2S,3R)-2-benzyl-3-(2-methoxyethoxy)pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 97470143
[(2S,3S)-2-benzyl-3-ethoxypyrrolidin-1-yl]-(furan-3-yl)methanone
CID 97470463
[(2S,3R)-2-benzyl-3-(2-methoxyethoxy)pyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 97406726

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone (CID 97470449) is [(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone is CO[C@H]1CCN(C(=O)c2ccoc2C)[C@H]1Cc1ccccc1.
What is the InChIKey of [(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is BTRBZKJDJLWAAU-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-15(9-11-22-13)18(20)19-10-8-17(21-2)16(19)12-14-6-4-3-5-7-14/h3-7,9,11,16-17H,8,10,12H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of [(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
[(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 97470449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).