1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one

C8H15NO2 — CID 10888165

IUPAC1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@H]1CO
InChIInChI=1S/C8H15NO2/c1-2-8(11)9-5-3-4-7(9)6-10/h7,10H,2-6H2,1H3/t7-/m0/s1
InChIKeySNYAQXZJWRDADV-ZETCQYMHSA-N
MW157.21 g/mol
LogP0.38
Rot. Bonds2

About 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one

1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 10888165) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID10888165
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@H]1CO
InChIInChI=1S/C8H15NO2/c1-2-8(11)9-5-3-4-7(9)6-10/h7,10H,2-6H2,1H3/t7-/m0/s1
InChIKeySNYAQXZJWRDADV-ZETCQYMHSA-N
XLogP0.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one (CID 10888165) is 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@H]1CO.
What is the InChIKey of 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is SNYAQXZJWRDADV-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-8(11)9-5-3-4-7(9)6-10/h7,10H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one?
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 157.21 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 10888165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).