3-amino-1,2-dihydropyrrol-5-one

C4H6N2O — CID 55290205

IUPAC3-amino-1,2-dihydropyrrol-5-one
SMILESNC1=CC(=O)NC1
InChIInChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1H,2,5H2,(H,6,7)
InChIKeyWSVFLHWICQUZBZ-UHFFFAOYSA-N
MW98.10 g/mol
LogP-1.04
Rot. Bonds

About 3-amino-1,2-dihydropyrrol-5-one

3-amino-1,2-dihydropyrrol-5-one (PubChem CID 55290205) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 3-amino-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-amino-1,2-dihydropyrrol-5-one
PubChem CID55290205
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name3-amino-1,2-dihydropyrrol-5-one
SMILESNC1=CC(=O)NC1
InChIInChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1H,2,5H2,(H,6,7)
InChIKeyWSVFLHWICQUZBZ-UHFFFAOYSA-N
XLogP-1.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-amino-1,2-dihydropyrrol-5-one (CID 55290205) is 3-amino-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-amino-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-amino-1,2-dihydropyrrol-5-one is NC1=CC(=O)NC1.
What is the InChIKey of 3-amino-1,2-dihydropyrrol-5-one?
The InChIKey is WSVFLHWICQUZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1H,2,5H2,(H,6,7).
What are the key properties of 3-amino-1,2-dihydropyrrol-5-one?
3-amino-1,2-dihydropyrrol-5-one has a molecular weight of 98.10 g/mol, XLogP of -1.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 55290205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).