1-[2-(2-hydroxyethoxy)ethyl]pyrrolidin-2-one;1-(2-hydroxypropyl)pyrrolidin-2-one

C15H28N2O5 — CID 22416206

IUPAC1-[2-(2-hydroxyethoxy)ethyl]pyrrolidin-2-one;1-(2-hydroxypropyl)pyrrolidin-2-one
SMILESCC(O)CN1CCCC1=O.O=C1CCCN1CCOCCO
InChIInChI=1S/C8H15NO3.C7H13NO2/c10-5-7-12-6-4-9-3-1-2-8(9)11;1-6(9)5-8-4-2-3-7(8)10/h10H,1-7H2;6,9H,2-5H2,1H3
InChIKeyBFRAXHOMLFCGRD-UHFFFAOYSA-N
MW316.40 g/mol
LogP-0.39
Rot. Bonds7

About 1-[2-(2-hydroxyethoxy)ethyl]pyrrolidin-2-one;1-(2-hydroxypropyl)pyrrolidin-2-one

1-[2-(2-hydroxyethoxy)ethyl]pyrrolidin-2-one;1-(2-hydroxypropyl)pyrrolidin-2-one (PubChem CID 22416206) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]pyrrolidin-2-one;1-(2-hydroxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]pyrrolidin-2-one;1-(2-hydroxypropyl)pyrrolidin-2-one
PubChem CID22416206
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]pyrrolidin-2-one;1-(2-hydroxypropyl)pyrrolidin-2-one
SMILESCC(O)CN1CCCC1=O.O=C1CCCN1CCOCCO
InChIInChI=1S/C8H15NO3.C7H13NO2/c10-5-7-12-6-4-9-3-1-2-8(9)11;1-6(9)5-8-4-2-3-7(8)10/h10H,1-7H2;6,9H,2-5H2,1H3
InChIKeyBFRAXHOMLFCGRD-UHFFFAOYSA-N
XLogP-0.39
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]pyrrolidin-2-one;1-(2-hydroxypropyl)pyrrolidin-2-one?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]pyrrolidin-2-one;1-(2-hydroxypropyl)pyrrolidin-2-one (CID 22416206) is 1-[2-(2-hydroxyethoxy)ethyl]pyrrolidin-2-one;1-(2-hydroxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]pyrrolidin-2-one;1-(2-hydroxypropyl)pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]pyrrolidin-2-one;1-(2-hydroxypropyl)pyrrolidin-2-one is CC(O)CN1CCCC1=O.O=C1CCCN1CCOCCO.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]pyrrolidin-2-one;1-(2-hydroxypropyl)pyrrolidin-2-one?
The InChIKey is BFRAXHOMLFCGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.C7H13NO2/c10-5-7-12-6-4-9-3-1-2-8(9)11;1-6(9)5-8-4-2-3-7(8)10/h10H,1-7H2;6,9H,2-5H2,1H3.
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]pyrrolidin-2-one;1-(2-hydroxypropyl)pyrrolidin-2-one?
1-[2-(2-hydroxyethoxy)ethyl]pyrrolidin-2-one;1-(2-hydroxypropyl)pyrrolidin-2-one has a molecular weight of 316.40 g/mol, XLogP of -0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]pyrrolidin-2-one;1-(2-hydroxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 22416206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).