[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone

C21H22N2O3 — CID 95120952

IUPAC[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CC[C@](O)(c4ccccc4)C3)n(C)c2c1
InChIInChI=1S/C21H22N2O3/c1-22-18-13-17(26-2)9-8-15(18)12-19(22)20(24)23-11-10-21(25,14-23)16-6-4-3-5-7-16/h3-9,12-13,25H,10-11,14H2,1-2H3/t21-/m1/s1
InChIKeyFZJNIQBRLJJTEF-OAQYLSRUSA-N
MW350.42 g/mol
LogP2.92
Rot. Bonds3

About [(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone

[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone (PubChem CID 95120952) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is [(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone
PubChem CID95120952
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CC[C@](O)(c4ccccc4)C3)n(C)c2c1
InChIInChI=1S/C21H22N2O3/c1-22-18-13-17(26-2)9-8-15(18)12-19(22)20(24)23-11-10-21(25,14-23)16-6-4-3-5-7-16/h3-9,12-13,25H,10-11,14H2,1-2H3/t21-/m1/s1
InChIKeyFZJNIQBRLJJTEF-OAQYLSRUSA-N
XLogP2.92
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone?
The IUPAC name of [(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone (CID 95120952) is [(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone.
What is the SMILES notation for [(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone?
The canonical SMILES for [(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone is COc1ccc2cc(C(=O)N3CC[C@](O)(c4ccccc4)C3)n(C)c2c1.
What is the InChIKey of [(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone?
The InChIKey is FZJNIQBRLJJTEF-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-22-18-13-17(26-2)9-8-15(18)12-19(22)20(24)23-11-10-21(25,14-23)16-6-4-3-5-7-16/h3-9,12-13,25H,10-11,14H2,1-2H3/t21-/m1/s1.
What are the key properties of [(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone?
[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone has a molecular weight of 350.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone is sourced from PubChem (CID 95120952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).