3-(methylamino)-1,2-dihydropyrrol-5-one

C5H8N2O — CID 59277791

IUPAC3-(methylamino)-1,2-dihydropyrrol-5-one
SMILESCNC1=CC(=O)NC1
InChIInChI=1S/C5H8N2O/c1-6-4-2-5(8)7-3-4/h2,6H,3H2,1H3,(H,7,8)
InChIKeyVAYKUOQEDOATGI-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.78
Rot. Bonds1

About 3-(methylamino)-1,2-dihydropyrrol-5-one

3-(methylamino)-1,2-dihydropyrrol-5-one (PubChem CID 59277791) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 3-(methylamino)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-(methylamino)-1,2-dihydropyrrol-5-one
PubChem CID59277791
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name3-(methylamino)-1,2-dihydropyrrol-5-one
SMILESCNC1=CC(=O)NC1
InChIInChI=1S/C5H8N2O/c1-6-4-2-5(8)7-3-4/h2,6H,3H2,1H3,(H,7,8)
InChIKeyVAYKUOQEDOATGI-UHFFFAOYSA-N
XLogP-0.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-(methylamino)-1,2-dihydropyrrol-5-one (CID 59277791) is 3-(methylamino)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-(methylamino)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-(methylamino)-1,2-dihydropyrrol-5-one is CNC1=CC(=O)NC1.
What is the InChIKey of 3-(methylamino)-1,2-dihydropyrrol-5-one?
The InChIKey is VAYKUOQEDOATGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-6-4-2-5(8)7-3-4/h2,6H,3H2,1H3,(H,7,8).
What are the key properties of 3-(methylamino)-1,2-dihydropyrrol-5-one?
3-(methylamino)-1,2-dihydropyrrol-5-one has a molecular weight of 112.13 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 59277791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).