1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one

C17H20N2O2 — CID 131962852

IUPAC1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)[nH]1)N1CC[C@H](O)C1
InChIInChI=1S/C17H20N2O2/c20-15-10-11-19(12-15)17(21)9-7-14-6-8-16(18-14)13-4-2-1-3-5-13/h1-6,8,15,18,20H,7,9-12H2/t15-/m0/s1
InChIKeyMUQGGZZGWUBGGJ-HNNXBMFYSA-N
MW284.36 g/mol
LogP2.21
Rot. Bonds4

About 1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one

1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one (PubChem CID 131962852) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one
PubChem CID131962852
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)[nH]1)N1CC[C@H](O)C1
InChIInChI=1S/C17H20N2O2/c20-15-10-11-19(12-15)17(21)9-7-14-6-8-16(18-14)13-4-2-1-3-5-13/h1-6,8,15,18,20H,7,9-12H2/t15-/m0/s1
InChIKeyMUQGGZZGWUBGGJ-HNNXBMFYSA-N
XLogP2.21
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[3-(5-phenyl-1H-pyrrol-2-yl)propanoyl]pyrrolidine-3-carboxamide
CID 94657897
1-morpholin-4-yl-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one
CID 51088025
3-(2-hydroxyphenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66291219
3-methyl-1-[3-(5-phenyl-1H-pyrrol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 119256480
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 111560993
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437
3-(3-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561954
4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 107217247
4-amino-1-(3-hydroxypyrrolidin-1-yl)-4-phenylbutan-1-one
CID 63323919
1-[(3S)-3-hydroxypyrrolidin-1-yl]-4-phenylsulfanylbutan-1-one
CID 79029544
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 103900621
3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93032761

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one?
The IUPAC name of 1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one (CID 131962852) is 1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one.
What is the SMILES notation for 1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one?
The canonical SMILES for 1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one is O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CC[C@H](O)C1.
What is the InChIKey of 1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one?
The InChIKey is MUQGGZZGWUBGGJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-15-10-11-19(12-15)17(21)9-7-14-6-8-16(18-14)13-4-2-1-3-5-13/h1-6,8,15,18,20H,7,9-12H2/t15-/m0/s1.
What are the key properties of 1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one?
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one has a molecular weight of 284.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one is sourced from PubChem (CID 131962852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).