6-methyl-1,3-dihydropyrrolizin-2-one

C8H9NO — CID 153280020

IUPAC6-methyl-1,3-dihydropyrrolizin-2-one
SMILESCc1cc2n(c1)CC(=O)C2
InChIInChI=1S/C8H9NO/c1-6-2-7-3-8(10)5-9(7)4-6/h2,4H,3,5H2,1H3
InChIKeyWDBOHBIKQIFCGK-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.92
Rot. Bonds

About 6-methyl-1,3-dihydropyrrolizin-2-one

6-methyl-1,3-dihydropyrrolizin-2-one (PubChem CID 153280020) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 6-methyl-1,3-dihydropyrrolizin-2-one.

Molecular Properties

Compound Name6-methyl-1,3-dihydropyrrolizin-2-one
PubChem CID153280020
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name6-methyl-1,3-dihydropyrrolizin-2-one
SMILESCc1cc2n(c1)CC(=O)C2
InChIInChI=1S/C8H9NO/c1-6-2-7-3-8(10)5-9(7)4-6/h2,4H,3,5H2,1H3
InChIKeyWDBOHBIKQIFCGK-UHFFFAOYSA-N
XLogP0.92
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,3-dihydropyrrolizin-2-one?
The IUPAC name of 6-methyl-1,3-dihydropyrrolizin-2-one (CID 153280020) is 6-methyl-1,3-dihydropyrrolizin-2-one.
What is the SMILES notation for 6-methyl-1,3-dihydropyrrolizin-2-one?
The canonical SMILES for 6-methyl-1,3-dihydropyrrolizin-2-one is Cc1cc2n(c1)CC(=O)C2.
What is the InChIKey of 6-methyl-1,3-dihydropyrrolizin-2-one?
The InChIKey is WDBOHBIKQIFCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-6-2-7-3-8(10)5-9(7)4-6/h2,4H,3,5H2,1H3.
What are the key properties of 6-methyl-1,3-dihydropyrrolizin-2-one?
6-methyl-1,3-dihydropyrrolizin-2-one has a molecular weight of 135.17 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,3-dihydropyrrolizin-2-one is sourced from PubChem (CID 153280020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).