1-[(2S)-2-(2-hydroxyethoxymethyl)pyrrolidin-1-yl]ethanone

C9H17NO3 — CID 96551952

IUPAC1-[(2S)-2-(2-hydroxyethoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1COCCO
InChIInChI=1S/C9H17NO3/c1-8(12)10-4-2-3-9(10)7-13-6-5-11/h9,11H,2-7H2,1H3/t9-/m0/s1
InChIKeyNPCHZHHFDCJGJD-VIFPVBQESA-N
MW187.24 g/mol
LogP0.01
Rot. Bonds4

About 1-[(2S)-2-(2-hydroxyethoxymethyl)pyrrolidin-1-yl]ethanone

1-[(2S)-2-(2-hydroxyethoxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 96551952) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-[(2S)-2-(2-hydroxyethoxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(2-hydroxyethoxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID96551952
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name1-[(2S)-2-(2-hydroxyethoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1COCCO
InChIInChI=1S/C9H17NO3/c1-8(12)10-4-2-3-9(10)7-13-6-5-11/h9,11H,2-7H2,1H3/t9-/m0/s1
InChIKeyNPCHZHHFDCJGJD-VIFPVBQESA-N
XLogP0.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2S)-2-(2-hydroxyethoxymethyl)pyrrolidin-1-yl]ethanone 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-[(2S)-2-(2-hydroxyethoxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(2-hydroxyethoxymethyl)pyrrolidin-1-yl]ethanone (CID 96551952) is 1-[(2S)-2-(2-hydroxyethoxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(2-hydroxyethoxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(2-hydroxyethoxymethyl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@H]1COCCO.
What is the InChIKey of 1-[(2S)-2-(2-hydroxyethoxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is NPCHZHHFDCJGJD-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO3/c1-8(12)10-4-2-3-9(10)7-13-6-5-11/h9,11H,2-7H2,1H3/t9-/m0/s1.
What are the key properties of 1-[(2S)-2-(2-hydroxyethoxymethyl)pyrrolidin-1-yl]ethanone?
1-[(2S)-2-(2-hydroxyethoxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 187.24 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2-hydroxyethoxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 96551952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).