1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanone

C7H13NO2 — CID 94407512

IUPAC1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](CO)C1
InChIInChI=1S/C7H13NO2/c1-6(10)8-3-2-7(4-8)5-9/h7,9H,2-5H2,1H3/t7-/m0/s1
InChIKeyQZIPHPJTYHOXKM-ZETCQYMHSA-N
MW143.19 g/mol
LogP-0.15
Rot. Bonds1

About 1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanone

1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 94407512) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID94407512
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](CO)C1
InChIInChI=1S/C7H13NO2/c1-6(10)8-3-2-7(4-8)5-9/h7,9H,2-5H2,1H3/t7-/m0/s1
InChIKeyQZIPHPJTYHOXKM-ZETCQYMHSA-N
XLogP-0.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanone (CID 94407512) is 1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@H](CO)C1.
What is the InChIKey of 1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is QZIPHPJTYHOXKM-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(10)8-3-2-7(4-8)5-9/h7,9H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of 1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 143.19 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 94407512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).