5-amino-3,4-dihydropyrrol-2-one

C4H6N2O — CID 3835970

IUPAC5-amino-3,4-dihydropyrrol-2-one
SMILESNC1=NC(=O)CC1
InChIInChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2H2,(H2,5,6,7)
InChIKeyWAAFTRBGRCYSFD-UHFFFAOYSA-N
MW98.10 g/mol
LogP-0.34
Rot. Bonds

About 5-amino-3,4-dihydropyrrol-2-one

5-amino-3,4-dihydropyrrol-2-one (PubChem CID 3835970) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 5-amino-3,4-dihydropyrrol-2-one.

Molecular Properties

Compound Name5-amino-3,4-dihydropyrrol-2-one
PubChem CID3835970
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name5-amino-3,4-dihydropyrrol-2-one
SMILESNC1=NC(=O)CC1
InChIInChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2H2,(H2,5,6,7)
InChIKeyWAAFTRBGRCYSFD-UHFFFAOYSA-N
XLogP-0.34
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3,4-dihydropyrrol-2-one?
The IUPAC name of 5-amino-3,4-dihydropyrrol-2-one (CID 3835970) is 5-amino-3,4-dihydropyrrol-2-one.
What is the SMILES notation for 5-amino-3,4-dihydropyrrol-2-one?
The canonical SMILES for 5-amino-3,4-dihydropyrrol-2-one is NC1=NC(=O)CC1.
What is the InChIKey of 5-amino-3,4-dihydropyrrol-2-one?
The InChIKey is WAAFTRBGRCYSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2H2,(H2,5,6,7).
What are the key properties of 5-amino-3,4-dihydropyrrol-2-one?
5-amino-3,4-dihydropyrrol-2-one has a molecular weight of 98.10 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3,4-dihydropyrrol-2-one is sourced from PubChem (CID 3835970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).