[(2S,3S)-2-benzyl-3-ethoxypyrrolidin-1-yl]-(furan-3-yl)methanone

C18H21NO3 — CID 97470463

IUPAC[(2S,3S)-2-benzyl-3-ethoxypyrrolidin-1-yl]-(furan-3-yl)methanone
SMILESCCO[C@H]1CCN(C(=O)c2ccoc2)[C@H]1Cc1ccccc1
InChIInChI=1S/C18H21NO3/c1-2-22-17-8-10-19(18(20)15-9-11-21-13-15)16(17)12-14-6-4-3-5-7-14/h3-7,9,11,13,16-17H,2,8,10,12H2,1H3/t16-,17-/m0/s1
InChIKeyMYBPKFJXAZFSHN-IRXDYDNUSA-N
MW299.37 g/mol
LogP3.14
Rot. Bonds5

About [(2S,3S)-2-benzyl-3-ethoxypyrrolidin-1-yl]-(furan-3-yl)methanone

[(2S,3S)-2-benzyl-3-ethoxypyrrolidin-1-yl]-(furan-3-yl)methanone (PubChem CID 97470463) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is [(2S,3S)-2-benzyl-3-ethoxypyrrolidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[(2S,3S)-2-benzyl-3-ethoxypyrrolidin-1-yl]-(furan-3-yl)methanone
PubChem CID97470463
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name[(2S,3S)-2-benzyl-3-ethoxypyrrolidin-1-yl]-(furan-3-yl)methanone
SMILESCCO[C@H]1CCN(C(=O)c2ccoc2)[C@H]1Cc1ccccc1
InChIInChI=1S/C18H21NO3/c1-2-22-17-8-10-19(18(20)15-9-11-21-13-15)16(17)12-14-6-4-3-5-7-14/h3-7,9,11,13,16-17H,2,8,10,12H2,1H3/t16-,17-/m0/s1
InChIKeyMYBPKFJXAZFSHN-IRXDYDNUSA-N
XLogP3.14
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,3R)-2-benzyl-3-(2-methoxyethoxy)pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 97470143
[(2S,3R)-2-benzyl-3-(2-methoxyethoxy)pyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 97406726
furan-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738155
[(2S,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 97470128
[(2S,3R)-2-benzyl-3-(2-methoxyethoxy)pyrrolidin-1-yl]-(6-ethyl-3-pyridinyl)methanone
CID 131697305
[(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 97470449
[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 133140606
[(2S,3R)-2-benzyl-3-prop-2-enoxypyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 131683149
(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)-N,N-dimethylpyrrolidine-1-carboxamide
CID 97384217
[(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-cyclopropylmethanone
CID 155877664
(2R)-N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide
CID 815025
N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide
CID 5019016

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-benzyl-3-ethoxypyrrolidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [(2S,3S)-2-benzyl-3-ethoxypyrrolidin-1-yl]-(furan-3-yl)methanone (CID 97470463) is [(2S,3S)-2-benzyl-3-ethoxypyrrolidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [(2S,3S)-2-benzyl-3-ethoxypyrrolidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [(2S,3S)-2-benzyl-3-ethoxypyrrolidin-1-yl]-(furan-3-yl)methanone is CCO[C@H]1CCN(C(=O)c2ccoc2)[C@H]1Cc1ccccc1.
What is the InChIKey of [(2S,3S)-2-benzyl-3-ethoxypyrrolidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is MYBPKFJXAZFSHN-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H21NO3/c1-2-22-17-8-10-19(18(20)15-9-11-21-13-15)16(17)12-14-6-4-3-5-7-14/h3-7,9,11,13,16-17H,2,8,10,12H2,1H3/t16-,17-/m0/s1.
What are the key properties of [(2S,3S)-2-benzyl-3-ethoxypyrrolidin-1-yl]-(furan-3-yl)methanone?
[(2S,3S)-2-benzyl-3-ethoxypyrrolidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 3.14, 5 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-ethoxypyrrolidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 97470463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).