3-(1-hydroxyethyl)-1-(1-hydroxypropyl)pyrrolidin-2-one

C9H17NO3 — CID 19378275

IUPAC3-(1-hydroxyethyl)-1-(1-hydroxypropyl)pyrrolidin-2-one
SMILESCCC(O)N1CCC(C(C)O)C1=O
InChIInChI=1S/C9H17NO3/c1-3-8(12)10-5-4-7(6(2)11)9(10)13/h6-8,11-12H,3-5H2,1-2H3
InChIKeyDHGXUISZJKRLIC-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.06
Rot. Bonds3

About 3-(1-hydroxyethyl)-1-(1-hydroxypropyl)pyrrolidin-2-one

3-(1-hydroxyethyl)-1-(1-hydroxypropyl)pyrrolidin-2-one (PubChem CID 19378275) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-1-(1-hydroxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-1-(1-hydroxypropyl)pyrrolidin-2-one
PubChem CID19378275
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-(1-hydroxyethyl)-1-(1-hydroxypropyl)pyrrolidin-2-one
SMILESCCC(O)N1CCC(C(C)O)C1=O
InChIInChI=1S/C9H17NO3/c1-3-8(12)10-5-4-7(6(2)11)9(10)13/h6-8,11-12H,3-5H2,1-2H3
InChIKeyDHGXUISZJKRLIC-UHFFFAOYSA-N
XLogP-0.06
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-hydroxyethyl)-1-(1-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

Related Compounds

1,3-di(propan-2-yl)pyrrolidin-2-one;methane
CID 158114726
1-butan-2-yl-2-oxopyrrolidine-3-carboxylic acid
CID 59982778
1,3-di(propan-2-yl)azetidin-2-one
CID 166023384
1-(1-amino-1-oxobutan-2-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 59400544
3-bromo-1-(4-hydroxybutan-2-yl)pyrrolidin-2-one
CID 83180918
3-(hexan-3-ylamino)-1-propan-2-ylpyrrolidin-2-one
CID 115672858
(2S)-2-(2-oxo-3-propylpyrrolidin-1-yl)butanamide
CID 166791554
3-[(1S)-1-hydroxyethyl]bicyclo[3.2.1]octan-2-one
CID 135038887
(3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 96680803
(2S)-1-[(1R)-1-hydroxypropyl]azetidine-2-carboxylic acid
CID 162895327
3-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one
CID 67806097
3-amino-1-(1-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one
CID 79267295

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-1-(1-hydroxypropyl)pyrrolidin-2-one?
The IUPAC name of 3-(1-hydroxyethyl)-1-(1-hydroxypropyl)pyrrolidin-2-one (CID 19378275) is 3-(1-hydroxyethyl)-1-(1-hydroxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(1-hydroxyethyl)-1-(1-hydroxypropyl)pyrrolidin-2-one?
The canonical SMILES for 3-(1-hydroxyethyl)-1-(1-hydroxypropyl)pyrrolidin-2-one is CCC(O)N1CCC(C(C)O)C1=O.
What is the InChIKey of 3-(1-hydroxyethyl)-1-(1-hydroxypropyl)pyrrolidin-2-one?
The InChIKey is DHGXUISZJKRLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-8(12)10-5-4-7(6(2)11)9(10)13/h6-8,11-12H,3-5H2,1-2H3.
What are the key properties of 3-(1-hydroxyethyl)-1-(1-hydroxypropyl)pyrrolidin-2-one?
3-(1-hydroxyethyl)-1-(1-hydroxypropyl)pyrrolidin-2-one has a molecular weight of 187.24 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-1-(1-hydroxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 19378275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).