7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one

C9H13NO — CID 13409895

IUPAC7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one
SMILESC=C1CCN2C(=O)CCC2C1
InChIInChI=1S/C9H13NO/c1-7-4-5-10-8(6-7)2-3-9(10)11/h8H,1-6H2
InChIKeyRAMZXJMUQBEZBC-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.33
Rot. Bonds

About 7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one

7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one (PubChem CID 13409895) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one.

Molecular Properties

Compound Name7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one
PubChem CID13409895
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one
SMILESC=C1CCN2C(=O)CCC2C1
InChIInChI=1S/C9H13NO/c1-7-4-5-10-8(6-7)2-3-9(10)11/h8H,1-6H2
InChIKeyRAMZXJMUQBEZBC-UHFFFAOYSA-N
XLogP1.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.33
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

Octahydroindolizin-3-one
CID 6429122
(R)-Hexahydroindolizin-3(2H)-one
CID 13528194
(8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 11693960
(S)-Hexahydroindolizin-3(2H)-one
CID 10103244
2-Methylidene-1,3,6,7,8,8a-hexahydroindolizin-5-one
CID 14744514
8-Methylidene-1,2,5,6,7,8a-hexahydroindolizin-3-one
CID 129918967
2-Propan-2-ylidene-1,5,6,7,8,8a-hexahydroindolizin-3-one
CID 132538717
(8R,8aR)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 134957210
5-[(Z)-non-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 134981792
5-[(E)-non-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 134983642
(8aR)-2-methylidene-1,5,6,7,8,8a-hexahydroindolizin-3-one
CID 135045190
6-Methylidene-1,2,3,7,8,8a-hexahydroindolizin-5-one
CID 300239

Frequently Asked Questions

What is the IUPAC name of 7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one?
The IUPAC name of 7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one (CID 13409895) is 7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one.
What is the SMILES notation for 7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one?
The canonical SMILES for 7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one is C=C1CCN2C(=O)CCC2C1.
What is the InChIKey of 7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one?
The InChIKey is RAMZXJMUQBEZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-4-5-10-8(6-7)2-3-9(10)11/h8H,1-6H2.
What are the key properties of 7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one?
7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one has a molecular weight of 151.21 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one is sourced from PubChem (CID 13409895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).