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

C8H11NO — CID 12842581

IUPAC7-methylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
SMILESC=C1CCN2C(=O)CCC12
InChIInChI=1S/C8H11NO/c1-6-4-5-9-7(6)2-3-8(9)10/h7H,1-5H2
InChIKeyMAYLSFNCHCZGQS-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.94
Rot. Bonds

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

7-methylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 12842581) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 7-methylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name7-methylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
PubChem CID12842581
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name7-methylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
SMILESC=C1CCN2C(=O)CCC12
InChIInChI=1S/C8H11NO/c1-6-4-5-9-7(6)2-3-8(9)10/h7H,1-5H2
InChIKeyMAYLSFNCHCZGQS-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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Related Compounds

6-methylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 14744488
(8S)-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 175973493
6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 175973502
(8S)-6-(difluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 175973503
7-ethyl-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 175976038
6-(difluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 176115599
(6E)-7-ethyl-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 176270751
7-Ethenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 12853445
(7E)-7-(trimethylsilylmethylidene)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
CID 12842580
7-ethenylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
CID 12853439
(7S,8R)-7-ethenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 12853446
2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 13113482

Frequently Asked Questions

What is the IUPAC name of 7-methylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 7-methylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one (CID 12842581) is 7-methylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 7-methylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 7-methylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one is C=C1CCN2C(=O)CCC12.
What is the InChIKey of 7-methylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is MAYLSFNCHCZGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6-4-5-9-7(6)2-3-8(9)10/h7H,1-5H2.
What are the key properties of 7-methylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
7-methylidene-2,5,6,8-tetrahydro-1H-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 7-methylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 12842581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).