[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone

C16H18N2O2 — CID 131688110

IUPAC[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)N1CC[C@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H18N2O2/c19-15-7-9-18(16(20)13-6-8-17-11-13)14(15)10-12-4-2-1-3-5-12/h1-6,8,11,14-15,17,19H,7,9-10H2/t14-,15-/m0/s1
InChIKeySKOLVLGSXUDDHP-GJZGRUSLSA-N
MW270.33 g/mol
LogP1.83
Rot. Bonds3

About [(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone

[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone (PubChem CID 131688110) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is [(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
PubChem CID131688110
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)N1CC[C@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H18N2O2/c19-15-7-9-18(16(20)13-6-8-17-11-13)14(15)10-12-4-2-1-3-5-12/h1-6,8,11,14-15,17,19H,7,9-10H2/t14-,15-/m0/s1
InChIKeySKOLVLGSXUDDHP-GJZGRUSLSA-N
XLogP1.83
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 131685105
[(2S,3R)-2-benzyl-3-prop-2-enoxypyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 131683149
[(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 97470101
[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(thiadiazol-4-yl)methanone
CID 131688216
[(2R,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 124835252
[(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 171673279
(3-fluorophenyl)-[(2S,3S)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 97392021
1-[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-3-pyrimidin-5-ylpropan-1-one
CID 131688189
(2-fluorophenyl)-[(2S,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 97391924
[(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 97470175
[(2S,3R)-2-benzyl-3-(2-methoxyethoxy)pyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 97406726
1-[(2R,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 124821384

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone (CID 131688110) is [(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone is O=C(c1cc[nH]c1)N1CC[C@H](O)[C@@H]1Cc1ccccc1.
What is the InChIKey of [(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is SKOLVLGSXUDDHP-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-15-7-9-18(16(20)13-6-8-17-11-13)14(15)10-12-4-2-1-3-5-12/h1-6,8,11,14-15,17,19H,7,9-10H2/t14-,15-/m0/s1.
What are the key properties of [(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone?
[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 270.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 131688110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).