2-ethoxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

C9H17NO3 — CID 61410962

IUPAC2-ethoxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCCC1CO
InChIInChI=1S/C9H17NO3/c1-2-13-7-9(12)10-5-3-4-8(10)6-11/h8,11H,2-7H2,1H3
InChIKeyCIPMCNJHGBYPQQ-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.01
Rot. Bonds4

About 2-ethoxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

2-ethoxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 61410962) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-ethoxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID61410962
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-ethoxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCCC1CO
InChIInChI=1S/C9H17NO3/c1-2-13-7-9(12)10-5-3-4-8(10)6-11/h8,11H,2-7H2,1H3
InChIKeyCIPMCNJHGBYPQQ-UHFFFAOYSA-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

Analyze 2-ethoxy-1-[2-(hydroxymethyl)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

Related Compounds

1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 66261434
2-(2-aminoethoxy)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 107217978
1-[2-(chloromethyl)piperidin-1-yl]-2-ethoxyethanone
CID 63395100
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 104956182
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 103940379
4-ethoxy-1-[2-(hydroxymethyl)azepan-1-yl]butan-1-one
CID 116635896
3-chloro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 61409554
3-[1-(2-ethoxyacetyl)piperidin-2-yl]propanoic acid
CID 62217281
4-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 79191916
2-bromo-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 63680489
2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125006542
1-[1-(2-propoxyacetyl)pyrrolidin-2-yl]propan-2-one
CID 107939106

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone (CID 61410962) is 2-ethoxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone is CCOCC(=O)N1CCCC1CO.
What is the InChIKey of 2-ethoxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is CIPMCNJHGBYPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-13-7-9(12)10-5-3-4-8(10)6-11/h8,11H,2-7H2,1H3.
What are the key properties of 2-ethoxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
2-ethoxy-1-[2-(hydroxymethyl)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 2-ethoxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 61410962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).