1,3-bis(2-hydroxypropyl)pyrrolidin-2-one

C10H19NO3 — CID 57172851

IUPAC1,3-bis(2-hydroxypropyl)pyrrolidin-2-one
SMILESCC(O)CC1CCN(CC(C)O)C1=O
InChIInChI=1S/C10H19NO3/c1-7(12)5-9-3-4-11(10(9)14)6-8(2)13/h7-9,12-13H,3-6H2,1-2H3
InChIKeyBYDPWPKXHKQOOJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.01
Rot. Bonds4

About 1,3-bis(2-hydroxypropyl)pyrrolidin-2-one

1,3-bis(2-hydroxypropyl)pyrrolidin-2-one (PubChem CID 57172851) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1,3-bis(2-hydroxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1,3-bis(2-hydroxypropyl)pyrrolidin-2-one
PubChem CID57172851
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1,3-bis(2-hydroxypropyl)pyrrolidin-2-one
SMILESCC(O)CC1CCN(CC(C)O)C1=O
InChIInChI=1S/C10H19NO3/c1-7(12)5-9-3-4-11(10(9)14)6-8(2)13/h7-9,12-13H,3-6H2,1-2H3
InChIKeyBYDPWPKXHKQOOJ-UHFFFAOYSA-N
XLogP-0.01
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,3-bis(2-hydroxypropyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-hydroxypropyl)pyrrolidin-2-one?
The IUPAC name of 1,3-bis(2-hydroxypropyl)pyrrolidin-2-one (CID 57172851) is 1,3-bis(2-hydroxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 1,3-bis(2-hydroxypropyl)pyrrolidin-2-one?
The canonical SMILES for 1,3-bis(2-hydroxypropyl)pyrrolidin-2-one is CC(O)CC1CCN(CC(C)O)C1=O.
What is the InChIKey of 1,3-bis(2-hydroxypropyl)pyrrolidin-2-one?
The InChIKey is BYDPWPKXHKQOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(12)5-9-3-4-11(10(9)14)6-8(2)13/h7-9,12-13H,3-6H2,1-2H3.
What are the key properties of 1,3-bis(2-hydroxypropyl)pyrrolidin-2-one?
1,3-bis(2-hydroxypropyl)pyrrolidin-2-one has a molecular weight of 201.27 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-hydroxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 57172851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).