1-methyl-2,5,6,7-tetrahydropyrrolizin-3-one

C8H11NO — CID 13113487

IUPAC1-methyl-2,5,6,7-tetrahydropyrrolizin-3-one
SMILESCC1=C2CCCN2C(=O)C1
InChIInChI=1S/C8H11NO/c1-6-5-8(10)9-4-2-3-7(6)9/h2-5H2,1H3
InChIKeyUPGFXMQOOUMYKE-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.29
Rot. Bonds

About 1-methyl-2,5,6,7-tetrahydropyrrolizin-3-one

1-methyl-2,5,6,7-tetrahydropyrrolizin-3-one (PubChem CID 13113487) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-methyl-2,5,6,7-tetrahydropyrrolizin-3-one.

Molecular Properties

Compound Name1-methyl-2,5,6,7-tetrahydropyrrolizin-3-one
PubChem CID13113487
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-methyl-2,5,6,7-tetrahydropyrrolizin-3-one
SMILESCC1=C2CCCN2C(=O)C1
InChIInChI=1S/C8H11NO/c1-6-5-8(10)9-4-2-3-7(6)9/h2-5H2,1H3
InChIKeyUPGFXMQOOUMYKE-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,5,6,7-tetrahydropyrrolizin-3-one?
The IUPAC name of 1-methyl-2,5,6,7-tetrahydropyrrolizin-3-one (CID 13113487) is 1-methyl-2,5,6,7-tetrahydropyrrolizin-3-one.
What is the SMILES notation for 1-methyl-2,5,6,7-tetrahydropyrrolizin-3-one?
The canonical SMILES for 1-methyl-2,5,6,7-tetrahydropyrrolizin-3-one is CC1=C2CCCN2C(=O)C1.
What is the InChIKey of 1-methyl-2,5,6,7-tetrahydropyrrolizin-3-one?
The InChIKey is UPGFXMQOOUMYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6-5-8(10)9-4-2-3-7(6)9/h2-5H2,1H3.
What are the key properties of 1-methyl-2,5,6,7-tetrahydropyrrolizin-3-one?
1-methyl-2,5,6,7-tetrahydropyrrolizin-3-one has a molecular weight of 137.18 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,5,6,7-tetrahydropyrrolizin-3-one is sourced from PubChem (CID 13113487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).