2-(hydroxymethyl)-1,2-dihydropyrrol-5-one

C5H7NO2 — CID 15202861

IUPAC2-(hydroxymethyl)-1,2-dihydropyrrol-5-one
SMILESO=C1C=CC(CO)N1
InChIInChI=1S/C5H7NO2/c7-3-4-1-2-5(8)6-4/h1-2,4,7H,3H2,(H,6,8)
InChIKeyNBOYRYFJJZYGLC-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.97
Rot. Bonds1

About 2-(hydroxymethyl)-1,2-dihydropyrrol-5-one

2-(hydroxymethyl)-1,2-dihydropyrrol-5-one (PubChem CID 15202861) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-1,2-dihydropyrrol-5-one
PubChem CID15202861
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name2-(hydroxymethyl)-1,2-dihydropyrrol-5-one
SMILESO=C1C=CC(CO)N1
InChIInChI=1S/C5H7NO2/c7-3-4-1-2-5(8)6-4/h1-2,4,7H,3H2,(H,6,8)
InChIKeyNBOYRYFJJZYGLC-UHFFFAOYSA-N
XLogP-0.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 2-(hydroxymethyl)-1,2-dihydropyrrol-5-one (CID 15202861) is 2-(hydroxymethyl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 2-(hydroxymethyl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 2-(hydroxymethyl)-1,2-dihydropyrrol-5-one is O=C1C=CC(CO)N1.
What is the InChIKey of 2-(hydroxymethyl)-1,2-dihydropyrrol-5-one?
The InChIKey is NBOYRYFJJZYGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c7-3-4-1-2-5(8)6-4/h1-2,4,7H,3H2,(H,6,8).
What are the key properties of 2-(hydroxymethyl)-1,2-dihydropyrrol-5-one?
2-(hydroxymethyl)-1,2-dihydropyrrol-5-one has a molecular weight of 113.12 g/mol, XLogP of -0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 15202861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).