1-(4-hydroxypyrrolidin-2-yl)propan-1-one

C7H13NO2 — CID 77390206

IUPAC1-(4-hydroxypyrrolidin-2-yl)propan-1-one
SMILESCCC(=O)C1CC(O)CN1
InChIInChI=1S/C7H13NO2/c1-2-7(10)6-3-5(9)4-8-6/h5-6,8-9H,2-4H2,1H3
InChIKeyWSDBKOMQSAQFFY-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.31
Rot. Bonds2

About 1-(4-hydroxypyrrolidin-2-yl)propan-1-one

1-(4-hydroxypyrrolidin-2-yl)propan-1-one (PubChem CID 77390206) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-(4-hydroxypyrrolidin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-hydroxypyrrolidin-2-yl)propan-1-one
PubChem CID77390206
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-(4-hydroxypyrrolidin-2-yl)propan-1-one
SMILESCCC(=O)C1CC(O)CN1
InChIInChI=1S/C7H13NO2/c1-2-7(10)6-3-5(9)4-8-6/h5-6,8-9H,2-4H2,1H3
InChIKeyWSDBKOMQSAQFFY-UHFFFAOYSA-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-(4-hydroxypyrrolidin-2-yl)propan-1-one?
The IUPAC name of 1-(4-hydroxypyrrolidin-2-yl)propan-1-one (CID 77390206) is 1-(4-hydroxypyrrolidin-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-hydroxypyrrolidin-2-yl)propan-1-one?
The canonical SMILES for 1-(4-hydroxypyrrolidin-2-yl)propan-1-one is CCC(=O)C1CC(O)CN1.
What is the InChIKey of 1-(4-hydroxypyrrolidin-2-yl)propan-1-one?
The InChIKey is WSDBKOMQSAQFFY-UHFFFAOYSA-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.
What are the key properties of 1-(4-hydroxypyrrolidin-2-yl)propan-1-one?
1-(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-(4-hydroxypyrrolidin-2-yl)propan-1-one is sourced from PubChem (CID 77390206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).