4-hydroxy-3-propanoyl-1,2-dihydropyrrol-5-one

C7H9NO3 — CID 23355437

IUPAC4-hydroxy-3-propanoyl-1,2-dihydropyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)NC1
InChIInChI=1S/C7H9NO3/c1-2-5(9)4-3-8-7(11)6(4)10/h10H,2-3H2,1H3,(H,8,11)
InChIKeyQZQWVFYTFCSQID-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.09
Rot. Bonds2

About 4-hydroxy-3-propanoyl-1,2-dihydropyrrol-5-one

4-hydroxy-3-propanoyl-1,2-dihydropyrrol-5-one (PubChem CID 23355437) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 4-hydroxy-3-propanoyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-3-propanoyl-1,2-dihydropyrrol-5-one
PubChem CID23355437
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name4-hydroxy-3-propanoyl-1,2-dihydropyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)NC1
InChIInChI=1S/C7H9NO3/c1-2-5(9)4-3-8-7(11)6(4)10/h10H,2-3H2,1H3,(H,8,11)
InChIKeyQZQWVFYTFCSQID-UHFFFAOYSA-N
XLogP-0.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-propanoyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-hydroxy-3-propanoyl-1,2-dihydropyrrol-5-one (CID 23355437) is 4-hydroxy-3-propanoyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-hydroxy-3-propanoyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-hydroxy-3-propanoyl-1,2-dihydropyrrol-5-one is CCC(=O)C1=C(O)C(=O)NC1.
What is the InChIKey of 4-hydroxy-3-propanoyl-1,2-dihydropyrrol-5-one?
The InChIKey is QZQWVFYTFCSQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-2-5(9)4-3-8-7(11)6(4)10/h10H,2-3H2,1H3,(H,8,11).
What are the key properties of 4-hydroxy-3-propanoyl-1,2-dihydropyrrol-5-one?
4-hydroxy-3-propanoyl-1,2-dihydropyrrol-5-one has a molecular weight of 155.15 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-propanoyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 23355437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).