8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

C8H13NO — CID 15716847

IUPAC8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC12CCCN1C(=O)CC2
InChIInChI=1S/C8H13NO/c1-8-4-2-6-9(8)7(10)3-5-8/h2-6H2,1H3
InChIKeyFSVVYIAVWCTTTL-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.16
Rot. Bonds

About 8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 15716847) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID15716847
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC12CCCN1C(=O)CC2
InChIInChI=1S/C8H13NO/c1-8-4-2-6-9(8)7(10)3-5-8/h2-6H2,1H3
InChIKeyFSVVYIAVWCTTTL-UHFFFAOYSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 15716847) is 8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is CC12CCCN1C(=O)CC2.
What is the InChIKey of 8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is FSVVYIAVWCTTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-8-4-2-6-9(8)7(10)3-5-8/h2-6H2,1H3.
What are the key properties of 8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 139.20 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 15716847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).