1-(4-hydroxypyrrolidin-3-yl)propan-2-one

C7H13NO2 — CID 115011520

IUPAC1-(4-hydroxypyrrolidin-3-yl)propan-2-one
SMILESCC(=O)CC1CNCC1O
InChIInChI=1S/C7H13NO2/c1-5(9)2-6-3-8-4-7(6)10/h6-8,10H,2-4H2,1H3
InChIKeyNOQFKXDCWBCZDC-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.45
Rot. Bonds2

About 1-(4-hydroxypyrrolidin-3-yl)propan-2-one

1-(4-hydroxypyrrolidin-3-yl)propan-2-one (PubChem CID 115011520) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-(4-hydroxypyrrolidin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-hydroxypyrrolidin-3-yl)propan-2-one
PubChem CID115011520
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-(4-hydroxypyrrolidin-3-yl)propan-2-one
SMILESCC(=O)CC1CNCC1O
InChIInChI=1S/C7H13NO2/c1-5(9)2-6-3-8-4-7(6)10/h6-8,10H,2-4H2,1H3
InChIKeyNOQFKXDCWBCZDC-UHFFFAOYSA-N
XLogP-0.45
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 ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypyrrolidin-3-yl)propan-2-one?
The IUPAC name of 1-(4-hydroxypyrrolidin-3-yl)propan-2-one (CID 115011520) is 1-(4-hydroxypyrrolidin-3-yl)propan-2-one.
What is the SMILES notation for 1-(4-hydroxypyrrolidin-3-yl)propan-2-one?
The canonical SMILES for 1-(4-hydroxypyrrolidin-3-yl)propan-2-one is CC(=O)CC1CNCC1O.
What is the InChIKey of 1-(4-hydroxypyrrolidin-3-yl)propan-2-one?
The InChIKey is NOQFKXDCWBCZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(9)2-6-3-8-4-7(6)10/h6-8,10H,2-4H2,1H3.
What are the key properties of 1-(4-hydroxypyrrolidin-3-yl)propan-2-one?
1-(4-hydroxypyrrolidin-3-yl)propan-2-one has a molecular weight of 143.19 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypyrrolidin-3-yl)propan-2-one is sourced from PubChem (CID 115011520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).