1-methylidene-5,6,7,8-tetrahydropyrrolizin-3-one

C8H11NO — CID 71333769

IUPAC1-methylidene-5,6,7,8-tetrahydropyrrolizin-3-one
SMILESC=C1CC(=O)N2CCCC12
InChIInChI=1S/C8H11NO/c1-6-5-8(10)9-4-2-3-7(6)9/h7H,1-5H2
InChIKeyVEENNOJJQUZEEE-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.94
Rot. Bonds

About 1-methylidene-5,6,7,8-tetrahydropyrrolizin-3-one

1-methylidene-5,6,7,8-tetrahydropyrrolizin-3-one (PubChem CID 71333769) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-methylidene-5,6,7,8-tetrahydropyrrolizin-3-one.

Molecular Properties

Compound Name1-methylidene-5,6,7,8-tetrahydropyrrolizin-3-one
PubChem CID71333769
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-methylidene-5,6,7,8-tetrahydropyrrolizin-3-one
SMILESC=C1CC(=O)N2CCCC12
InChIInChI=1S/C8H11NO/c1-6-5-8(10)9-4-2-3-7(6)9/h7H,1-5H2
InChIKeyVEENNOJJQUZEEE-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylidene-5,6,7,8-tetrahydropyrrolizin-3-one?
The IUPAC name of 1-methylidene-5,6,7,8-tetrahydropyrrolizin-3-one (CID 71333769) is 1-methylidene-5,6,7,8-tetrahydropyrrolizin-3-one.
What is the SMILES notation for 1-methylidene-5,6,7,8-tetrahydropyrrolizin-3-one?
The canonical SMILES for 1-methylidene-5,6,7,8-tetrahydropyrrolizin-3-one is C=C1CC(=O)N2CCCC12.
What is the InChIKey of 1-methylidene-5,6,7,8-tetrahydropyrrolizin-3-one?
The InChIKey is VEENNOJJQUZEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6-5-8(10)9-4-2-3-7(6)9/h7H,1-5H2.
What are the key properties of 1-methylidene-5,6,7,8-tetrahydropyrrolizin-3-one?
1-methylidene-5,6,7,8-tetrahydropyrrolizin-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 1-methylidene-5,6,7,8-tetrahydropyrrolizin-3-one is sourced from PubChem (CID 71333769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).