1-[(2S)-2-methylpyrrolidin-1-yl]-2-phenyl-2-phenylmethoxyethanone

C20H23NO2 — CID 174582713

IUPAC1-[(2S)-2-methylpyrrolidin-1-yl]-2-phenyl-2-phenylmethoxyethanone
SMILESC[C@H]1CCCN1C(=O)C(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-16-9-8-14-21(16)20(22)19(18-12-6-3-7-13-18)23-15-17-10-4-2-5-11-17/h2-7,10-13,16,19H,8-9,14-15H2,1H3/t16-,19?/m0/s1
InChIKeyNVYXMHKBEOBUJJ-UCFFOFKASA-N
MW309.41 g/mol
LogP3.96
Rot. Bonds5

About 1-[(2S)-2-methylpyrrolidin-1-yl]-2-phenyl-2-phenylmethoxyethanone

1-[(2S)-2-methylpyrrolidin-1-yl]-2-phenyl-2-phenylmethoxyethanone (PubChem CID 174582713) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[(2S)-2-methylpyrrolidin-1-yl]-2-phenyl-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[(2S)-2-methylpyrrolidin-1-yl]-2-phenyl-2-phenylmethoxyethanone
PubChem CID174582713
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1-[(2S)-2-methylpyrrolidin-1-yl]-2-phenyl-2-phenylmethoxyethanone
SMILESC[C@H]1CCCN1C(=O)C(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-16-9-8-14-21(16)20(22)19(18-12-6-3-7-13-18)23-15-17-10-4-2-5-11-17/h2-7,10-13,16,19H,8-9,14-15H2,1H3/t16-,19?/m0/s1
InChIKeyNVYXMHKBEOBUJJ-UCFFOFKASA-N
XLogP3.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methylpyrrolidin-1-yl]-2-phenyl-2-phenylmethoxyethanone?
The IUPAC name of 1-[(2S)-2-methylpyrrolidin-1-yl]-2-phenyl-2-phenylmethoxyethanone (CID 174582713) is 1-[(2S)-2-methylpyrrolidin-1-yl]-2-phenyl-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[(2S)-2-methylpyrrolidin-1-yl]-2-phenyl-2-phenylmethoxyethanone?
The canonical SMILES for 1-[(2S)-2-methylpyrrolidin-1-yl]-2-phenyl-2-phenylmethoxyethanone is C[C@H]1CCCN1C(=O)C(OCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(2S)-2-methylpyrrolidin-1-yl]-2-phenyl-2-phenylmethoxyethanone?
The InChIKey is NVYXMHKBEOBUJJ-UCFFOFKASA-N. The full InChI is InChI=1S/C20H23NO2/c1-16-9-8-14-21(16)20(22)19(18-12-6-3-7-13-18)23-15-17-10-4-2-5-11-17/h2-7,10-13,16,19H,8-9,14-15H2,1H3/t16-,19?/m0/s1.
What are the key properties of 1-[(2S)-2-methylpyrrolidin-1-yl]-2-phenyl-2-phenylmethoxyethanone?
1-[(2S)-2-methylpyrrolidin-1-yl]-2-phenyl-2-phenylmethoxyethanone has a molecular weight of 309.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methylpyrrolidin-1-yl]-2-phenyl-2-phenylmethoxyethanone is sourced from PubChem (CID 174582713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).