8-methyl-6,7-dihydro-5H-pyrrolizin-3-one

C8H11NO — CID 134858995

IUPAC8-methyl-6,7-dihydro-5H-pyrrolizin-3-one
SMILESCC12C=CC(=O)N1CCC2
InChIInChI=1S/C8H11NO/c1-8-4-2-6-9(8)7(10)3-5-8/h3,5H,2,4,6H2,1H3
InChIKeyZRMMLPSKPKGKAJ-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.94
Rot. Bonds

About 8-methyl-6,7-dihydro-5H-pyrrolizin-3-one

8-methyl-6,7-dihydro-5H-pyrrolizin-3-one (PubChem CID 134858995) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 8-methyl-6,7-dihydro-5H-pyrrolizin-3-one.

Molecular Properties

Compound Name8-methyl-6,7-dihydro-5H-pyrrolizin-3-one
PubChem CID134858995
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name8-methyl-6,7-dihydro-5H-pyrrolizin-3-one
SMILESCC12C=CC(=O)N1CCC2
InChIInChI=1S/C8H11NO/c1-8-4-2-6-9(8)7(10)3-5-8/h3,5H,2,4,6H2,1H3
InChIKeyZRMMLPSKPKGKAJ-UHFFFAOYSA-N
XLogP0.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6,7-dihydro-5H-pyrrolizin-3-one?
The IUPAC name of 8-methyl-6,7-dihydro-5H-pyrrolizin-3-one (CID 134858995) is 8-methyl-6,7-dihydro-5H-pyrrolizin-3-one.
What is the SMILES notation for 8-methyl-6,7-dihydro-5H-pyrrolizin-3-one?
The canonical SMILES for 8-methyl-6,7-dihydro-5H-pyrrolizin-3-one is CC12C=CC(=O)N1CCC2.
What is the InChIKey of 8-methyl-6,7-dihydro-5H-pyrrolizin-3-one?
The InChIKey is ZRMMLPSKPKGKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-8-4-2-6-9(8)7(10)3-5-8/h3,5H,2,4,6H2,1H3.
What are the key properties of 8-methyl-6,7-dihydro-5H-pyrrolizin-3-one?
8-methyl-6,7-dihydro-5H-pyrrolizin-3-one has a molecular weight of 137.18 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6,7-dihydro-5H-pyrrolizin-3-one is sourced from PubChem (CID 134858995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).