[4-(2-hydroxyethyl)-2-phenylpyrrolidin-1-yl]-phenylmethanone

C19H21NO2 — CID 67590524

IUPAC[4-(2-hydroxyethyl)-2-phenylpyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CC(CCO)CC1c1ccccc1
InChIInChI=1S/C19H21NO2/c21-12-11-15-13-18(16-7-3-1-4-8-16)20(14-15)19(22)17-9-5-2-6-10-17/h1-10,15,18,21H,11-14H2
InChIKeyNQIFTPIHPWVCNX-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.27
Rot. Bonds4

About [4-(2-hydroxyethyl)-2-phenylpyrrolidin-1-yl]-phenylmethanone

[4-(2-hydroxyethyl)-2-phenylpyrrolidin-1-yl]-phenylmethanone (PubChem CID 67590524) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)-2-phenylpyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)-2-phenylpyrrolidin-1-yl]-phenylmethanone
PubChem CID67590524
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name[4-(2-hydroxyethyl)-2-phenylpyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CC(CCO)CC1c1ccccc1
InChIInChI=1S/C19H21NO2/c21-12-11-15-13-18(16-7-3-1-4-8-16)20(14-15)19(22)17-9-5-2-6-10-17/h1-10,15,18,21H,11-14H2
InChIKeyNQIFTPIHPWVCNX-UHFFFAOYSA-N
XLogP3.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)-2-phenylpyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-hydroxyethyl)-2-phenylpyrrolidin-1-yl]-phenylmethanone (CID 67590524) is [4-(2-hydroxyethyl)-2-phenylpyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-hydroxyethyl)-2-phenylpyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-hydroxyethyl)-2-phenylpyrrolidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CC(CCO)CC1c1ccccc1.
What is the InChIKey of [4-(2-hydroxyethyl)-2-phenylpyrrolidin-1-yl]-phenylmethanone?
The InChIKey is NQIFTPIHPWVCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-12-11-15-13-18(16-7-3-1-4-8-16)20(14-15)19(22)17-9-5-2-6-10-17/h1-10,15,18,21H,11-14H2.
What are the key properties of [4-(2-hydroxyethyl)-2-phenylpyrrolidin-1-yl]-phenylmethanone?
[4-(2-hydroxyethyl)-2-phenylpyrrolidin-1-yl]-phenylmethanone has a molecular weight of 295.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)-2-phenylpyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 67590524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).