(2R)-1-(1-(111C)methylpyrrol-2-yl)-2-phenyl-2-pyrrolidin-1-ylethanone

C17H20N2O — CID 24824442

IUPAC(2R)-1-(1-(111C)methylpyrrol-2-yl)-2-phenyl-2-pyrrolidin-1-ylethanone
SMILES[11CH3]n1cccc1C(=O)[C@@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C17H20N2O/c1-18-11-7-10-15(18)17(20)16(19-12-5-6-13-19)14-8-3-2-4-9-14/h2-4,7-11,16H,5-6,12-13H2,1H3/t16-/m1/s1/i1-1
InChIKeyCEUDXLQWFMCTJL-XNJXNPSASA-N
MW267.36 g/mol
LogP3.04
Rot. Bonds4

About (2R)-1-(1-(111C)methylpyrrol-2-yl)-2-phenyl-2-pyrrolidin-1-ylethanone

(2R)-1-(1-(111C)methylpyrrol-2-yl)-2-phenyl-2-pyrrolidin-1-ylethanone (PubChem CID 24824442) has the molecular formula C17H20N2O and a molecular weight of 267.36 g/mol. Its IUPAC name is (2R)-1-(1-(111C)methylpyrrol-2-yl)-2-phenyl-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name(2R)-1-(1-(111C)methylpyrrol-2-yl)-2-phenyl-2-pyrrolidin-1-ylethanone
PubChem CID24824442
Molecular FormulaC17H20N2O
Molecular Weight267.36 g/mol
Exact Mass267.17
IUPAC Name(2R)-1-(1-(111C)methylpyrrol-2-yl)-2-phenyl-2-pyrrolidin-1-ylethanone
SMILES[11CH3]n1cccc1C(=O)[C@@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C17H20N2O/c1-18-11-7-10-15(18)17(20)16(19-12-5-6-13-19)14-8-3-2-4-9-14/h2-4,7-11,16H,5-6,12-13H2,1H3/t16-/m1/s1/i1-1
InChIKeyCEUDXLQWFMCTJL-XNJXNPSASA-N
XLogP3.04
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-(111C)methylpyrrol-2-yl)-2-phenyl-2-pyrrolidin-1-ylethanone?
The IUPAC name of (2R)-1-(1-(111C)methylpyrrol-2-yl)-2-phenyl-2-pyrrolidin-1-ylethanone (CID 24824442) is (2R)-1-(1-(111C)methylpyrrol-2-yl)-2-phenyl-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for (2R)-1-(1-(111C)methylpyrrol-2-yl)-2-phenyl-2-pyrrolidin-1-ylethanone?
The canonical SMILES for (2R)-1-(1-(111C)methylpyrrol-2-yl)-2-phenyl-2-pyrrolidin-1-ylethanone is [11CH3]n1cccc1C(=O)[C@@H](c1ccccc1)N1CCCC1.
What is the InChIKey of (2R)-1-(1-(111C)methylpyrrol-2-yl)-2-phenyl-2-pyrrolidin-1-ylethanone?
The InChIKey is CEUDXLQWFMCTJL-XNJXNPSASA-N. The full InChI is InChI=1S/C17H20N2O/c1-18-11-7-10-15(18)17(20)16(19-12-5-6-13-19)14-8-3-2-4-9-14/h2-4,7-11,16H,5-6,12-13H2,1H3/t16-/m1/s1/i1-1.
What are the key properties of (2R)-1-(1-(111C)methylpyrrol-2-yl)-2-phenyl-2-pyrrolidin-1-ylethanone?
(2R)-1-(1-(111C)methylpyrrol-2-yl)-2-phenyl-2-pyrrolidin-1-ylethanone has a molecular weight of 267.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-(111C)methylpyrrol-2-yl)-2-phenyl-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 24824442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).