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

C8H11NO — CID 101049778

IUPAC7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one
SMILESCC1=C2CCC(=O)N2CC1
InChIInChI=1S/C8H11NO/c1-6-4-5-9-7(6)2-3-8(9)10/h2-5H2,1H3
InChIKeyBWTPSYDIXXXXHE-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.29
Rot. Bonds

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

7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one (PubChem CID 101049778) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one.

Molecular Properties

Compound Name7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one
PubChem CID101049778
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one
SMILESCC1=C2CCC(=O)N2CC1
InChIInChI=1S/C8H11NO/c1-6-4-5-9-7(6)2-3-8(9)10/h2-5H2,1H3
InChIKeyBWTPSYDIXXXXHE-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 7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one?
The IUPAC name of 7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one (CID 101049778) is 7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one.
What is the SMILES notation for 7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one?
The canonical SMILES for 7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one is CC1=C2CCC(=O)N2CC1.
What is the InChIKey of 7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one?
The InChIKey is BWTPSYDIXXXXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6-4-5-9-7(6)2-3-8(9)10/h2-5H2,1H3.
What are the key properties of 7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one?
7-methyl-1,2,5,6-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 7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one is sourced from PubChem (CID 101049778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).