ethane;4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

C17H27NO3 — CID 144516289

IUPACethane;4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCC.COc1ccc(C(C)N2CC(C(C)O)CC2=O)cc1
InChIInChI=1S/C15H21NO3.C2H6/c1-10(12-4-6-14(19-3)7-5-12)16-9-13(11(2)17)8-15(16)18;1-2/h4-7,10-11,13,17H,8-9H2,1-3H3;1-2H3
InChIKeyRSZPOZCCOTWUMX-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.01
Rot. Bonds4

About ethane;4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

ethane;4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 144516289) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethane;4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Nameethane;4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
PubChem CID144516289
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nameethane;4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCC.COc1ccc(C(C)N2CC(C(C)O)CC2=O)cc1
InChIInChI=1S/C15H21NO3.C2H6/c1-10(12-4-6-14(19-3)7-5-12)16-9-13(11(2)17)8-15(16)18;1-2/h4-7,10-11,13,17H,8-9H2,1-3H3;1-2H3
InChIKeyRSZPOZCCOTWUMX-UHFFFAOYSA-N
XLogP3.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of ethane;4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (CID 144516289) is ethane;4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for ethane;4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for ethane;4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is CC.COc1ccc(C(C)N2CC(C(C)O)CC2=O)cc1.
What is the InChIKey of ethane;4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is RSZPOZCCOTWUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3.C2H6/c1-10(12-4-6-14(19-3)7-5-12)16-9-13(11(2)17)8-15(16)18;1-2/h4-7,10-11,13,17H,8-9H2,1-3H3;1-2H3.
What are the key properties of ethane;4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
ethane;4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 293.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 144516289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).