1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-1-one

C7H13NO2 — CID 176637163

IUPAC1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-1-one
SMILESCCC(=O)[C@H]1C[C@H](O)CN1
InChIInChI=1S/C7H13NO2/c1-2-7(10)6-3-5(9)4-8-6/h5-6,8-9H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyWSDBKOMQSAQFFY-NTSWFWBYSA-N
MW143.19 g/mol
LogP-0.31
Rot. Bonds2

About 1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-1-one

1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-1-one (PubChem CID 176637163) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-1-one
PubChem CID176637163
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-1-one
SMILESCCC(=O)[C@H]1C[C@H](O)CN1
InChIInChI=1S/C7H13NO2/c1-2-7(10)6-3-5(9)4-8-6/h5-6,8-9H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyWSDBKOMQSAQFFY-NTSWFWBYSA-N
XLogP-0.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-1-one?
The IUPAC name of 1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-1-one (CID 176637163) is 1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-1-one.
What is the SMILES notation for 1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-1-one?
The canonical SMILES for 1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-1-one is CCC(=O)[C@H]1C[C@H](O)CN1.
What is the InChIKey of 1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-1-one?
The InChIKey is WSDBKOMQSAQFFY-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-7(10)6-3-5(9)4-8-6/h5-6,8-9H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of 1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-1-one?
1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-1-one has a molecular weight of 143.19 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-1-one is sourced from PubChem (CID 176637163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).