2-methyl-1,2-dihydropyrrol-3-one

C5H7NO — CID 23184788

IUPAC2-methyl-1,2-dihydropyrrol-3-one
SMILESCC1NC=CC1=O
InChIInChI=1S/C5H7NO/c1-4-5(7)2-3-6-4/h2-4,6H,1H3
InChIKeyPREQXVAMOARGMD-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.06
Rot. Bonds

About 2-methyl-1,2-dihydropyrrol-3-one

2-methyl-1,2-dihydropyrrol-3-one (PubChem CID 23184788) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 2-methyl-1,2-dihydropyrrol-3-one.

Molecular Properties

Compound Name2-methyl-1,2-dihydropyrrol-3-one
PubChem CID23184788
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name2-methyl-1,2-dihydropyrrol-3-one
SMILESCC1NC=CC1=O
InChIInChI=1S/C5H7NO/c1-4-5(7)2-3-6-4/h2-4,6H,1H3
InChIKeyPREQXVAMOARGMD-UHFFFAOYSA-N
XLogP0.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2-dihydropyrrol-3-one?
The IUPAC name of 2-methyl-1,2-dihydropyrrol-3-one (CID 23184788) is 2-methyl-1,2-dihydropyrrol-3-one.
What is the SMILES notation for 2-methyl-1,2-dihydropyrrol-3-one?
The canonical SMILES for 2-methyl-1,2-dihydropyrrol-3-one is CC1NC=CC1=O.
What is the InChIKey of 2-methyl-1,2-dihydropyrrol-3-one?
The InChIKey is PREQXVAMOARGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-4-5(7)2-3-6-4/h2-4,6H,1H3.
What are the key properties of 2-methyl-1,2-dihydropyrrol-3-one?
2-methyl-1,2-dihydropyrrol-3-one has a molecular weight of 97.12 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2-dihydropyrrol-3-one is sourced from PubChem (CID 23184788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).