1-[(3S)-3-(1-ethylcyclobutyl)-3-hydroxypropyl]-5-(3-phenylpropyl)pyrrolidin-2-one

C22H33NO2 — CID 59259588

IUPAC1-[(3S)-3-(1-ethylcyclobutyl)-3-hydroxypropyl]-5-(3-phenylpropyl)pyrrolidin-2-one
SMILESCCC1([C@@H](O)CCN2C(=O)CCC2CCCc2ccccc2)CCC1
InChIInChI=1S/C22H33NO2/c1-2-22(15-7-16-22)20(24)14-17-23-19(12-13-21(23)25)11-6-10-18-8-4-3-5-9-18/h3-5,8-9,19-20,24H,2,6-7,10-17H2,1H3/t19?,20-/m0/s1
InChIKeyOOXPBGWPMDHTEE-ANYOKISRSA-N
MW343.51 g/mol
LogP4.33
Rot. Bonds9

About 1-[(3S)-3-(1-ethylcyclobutyl)-3-hydroxypropyl]-5-(3-phenylpropyl)pyrrolidin-2-one

1-[(3S)-3-(1-ethylcyclobutyl)-3-hydroxypropyl]-5-(3-phenylpropyl)pyrrolidin-2-one (PubChem CID 59259588) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is 1-[(3S)-3-(1-ethylcyclobutyl)-3-hydroxypropyl]-5-(3-phenylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3S)-3-(1-ethylcyclobutyl)-3-hydroxypropyl]-5-(3-phenylpropyl)pyrrolidin-2-one
PubChem CID59259588
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC Name1-[(3S)-3-(1-ethylcyclobutyl)-3-hydroxypropyl]-5-(3-phenylpropyl)pyrrolidin-2-one
SMILESCCC1([C@@H](O)CCN2C(=O)CCC2CCCc2ccccc2)CCC1
InChIInChI=1S/C22H33NO2/c1-2-22(15-7-16-22)20(24)14-17-23-19(12-13-21(23)25)11-6-10-18-8-4-3-5-9-18/h3-5,8-9,19-20,24H,2,6-7,10-17H2,1H3/t19?,20-/m0/s1
InChIKeyOOXPBGWPMDHTEE-ANYOKISRSA-N
XLogP4.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(1-ethylcyclobutyl)-3-hydroxypropyl]-5-(3-phenylpropyl)pyrrolidin-2-one?
The IUPAC name of 1-[(3S)-3-(1-ethylcyclobutyl)-3-hydroxypropyl]-5-(3-phenylpropyl)pyrrolidin-2-one (CID 59259588) is 1-[(3S)-3-(1-ethylcyclobutyl)-3-hydroxypropyl]-5-(3-phenylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[(3S)-3-(1-ethylcyclobutyl)-3-hydroxypropyl]-5-(3-phenylpropyl)pyrrolidin-2-one?
The canonical SMILES for 1-[(3S)-3-(1-ethylcyclobutyl)-3-hydroxypropyl]-5-(3-phenylpropyl)pyrrolidin-2-one is CCC1([C@@H](O)CCN2C(=O)CCC2CCCc2ccccc2)CCC1.
What is the InChIKey of 1-[(3S)-3-(1-ethylcyclobutyl)-3-hydroxypropyl]-5-(3-phenylpropyl)pyrrolidin-2-one?
The InChIKey is OOXPBGWPMDHTEE-ANYOKISRSA-N. The full InChI is InChI=1S/C22H33NO2/c1-2-22(15-7-16-22)20(24)14-17-23-19(12-13-21(23)25)11-6-10-18-8-4-3-5-9-18/h3-5,8-9,19-20,24H,2,6-7,10-17H2,1H3/t19?,20-/m0/s1.
What are the key properties of 1-[(3S)-3-(1-ethylcyclobutyl)-3-hydroxypropyl]-5-(3-phenylpropyl)pyrrolidin-2-one?
1-[(3S)-3-(1-ethylcyclobutyl)-3-hydroxypropyl]-5-(3-phenylpropyl)pyrrolidin-2-one has a molecular weight of 343.51 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(1-ethylcyclobutyl)-3-hydroxypropyl]-5-(3-phenylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 59259588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).