1-(3-hydroxypropyl)-2H-pyrrol-3-one

C7H11NO2 — CID 141105454

IUPAC1-(3-hydroxypropyl)-2H-pyrrol-3-one
SMILESO=C1C=CN(CCCO)C1
InChIInChI=1S/C7H11NO2/c9-5-1-3-8-4-2-7(10)6-8/h2,4,9H,1,3,5-6H2
InChIKeyJNZNAQARHYLRPY-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.23
Rot. Bonds3

About 1-(3-hydroxypropyl)-2H-pyrrol-3-one

1-(3-hydroxypropyl)-2H-pyrrol-3-one (PubChem CID 141105454) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-2H-pyrrol-3-one.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-2H-pyrrol-3-one
PubChem CID141105454
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-(3-hydroxypropyl)-2H-pyrrol-3-one
SMILESO=C1C=CN(CCCO)C1
InChIInChI=1S/C7H11NO2/c9-5-1-3-8-4-2-7(10)6-8/h2,4,9H,1,3,5-6H2
InChIKeyJNZNAQARHYLRPY-UHFFFAOYSA-N
XLogP-0.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-2H-pyrrol-3-one?
The IUPAC name of 1-(3-hydroxypropyl)-2H-pyrrol-3-one (CID 141105454) is 1-(3-hydroxypropyl)-2H-pyrrol-3-one.
What is the SMILES notation for 1-(3-hydroxypropyl)-2H-pyrrol-3-one?
The canonical SMILES for 1-(3-hydroxypropyl)-2H-pyrrol-3-one is O=C1C=CN(CCCO)C1.
What is the InChIKey of 1-(3-hydroxypropyl)-2H-pyrrol-3-one?
The InChIKey is JNZNAQARHYLRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-5-1-3-8-4-2-7(10)6-8/h2,4,9H,1,3,5-6H2.
What are the key properties of 1-(3-hydroxypropyl)-2H-pyrrol-3-one?
1-(3-hydroxypropyl)-2H-pyrrol-3-one has a molecular weight of 141.17 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-2H-pyrrol-3-one is sourced from PubChem (CID 141105454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).