[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone

C20H21NO3 — CID 110022807

IUPAC[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone
SMILESCC(O)C1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)C1
InChIInChI=1S/C20H21NO3/c1-14(22)16-11-12-21(13-16)20(24)18-10-6-5-9-17(18)19(23)15-7-3-2-4-8-15/h2-10,14,16,22H,11-13H2,1H3
InChIKeyJUJSCGVQTNCHPD-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.76
Rot. Bonds4

About [2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone

[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone (PubChem CID 110022807) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is [2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone
PubChem CID110022807
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone
SMILESCC(O)C1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)C1
InChIInChI=1S/C20H21NO3/c1-14(22)16-11-12-21(13-16)20(24)18-10-6-5-9-17(18)19(23)15-7-3-2-4-8-15/h2-10,14,16,22H,11-13H2,1H3
InChIKeyJUJSCGVQTNCHPD-UHFFFAOYSA-N
XLogP2.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride
CID 119592633
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethylsulfanyl)phenyl]methanone
CID 115966194
(3-ethyl-2-hydroxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023914
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 110023701
[2-[(3R,4S)-4-methoxy-3-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 126454708
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 112624740
(2-chloro-3-fluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627294
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 110022944
[4-(1-hydroxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
CID 111429801
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 112627475
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 110023360
(3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid
CID 97233562

Frequently Asked Questions

What is the IUPAC name of [2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone?
The IUPAC name of [2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone (CID 110022807) is [2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone?
The canonical SMILES for [2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone is CC(O)C1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)C1.
What is the InChIKey of [2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone?
The InChIKey is JUJSCGVQTNCHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-14(22)16-11-12-21(13-16)20(24)18-10-6-5-9-17(18)19(23)15-7-3-2-4-8-15/h2-10,14,16,22H,11-13H2,1H3.
What are the key properties of [2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone?
[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone has a molecular weight of 323.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone is sourced from PubChem (CID 110022807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).