(6E)-6-heptylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one

C16H25NO — CID 10753036

IUPAC(6E)-6-heptylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one
SMILESCCCCCC/C=C1\C=C(C)C2CCC(=O)N2C1
InChIInChI=1S/C16H25NO/c1-3-4-5-6-7-8-14-11-13(2)15-9-10-16(18)17(15)12-14/h8,11,15H,3-7,9-10,12H2,1-2H3/b14-8+
InChIKeyNQUBGQSBMMVXDM-RIYZIHGNSA-N
MW247.38 g/mol
LogP3.83
Rot. Bonds5

About (6E)-6-heptylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one

(6E)-6-heptylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one (PubChem CID 10753036) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (6E)-6-heptylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one.

Molecular Properties

Compound Name(6E)-6-heptylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one
PubChem CID10753036
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(6E)-6-heptylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one
SMILESCCCCCC/C=C1\C=C(C)C2CCC(=O)N2C1
InChIInChI=1S/C16H25NO/c1-3-4-5-6-7-8-14-11-13(2)15-9-10-16(18)17(15)12-14/h8,11,15H,3-7,9-10,12H2,1-2H3/b14-8+
InChIKeyNQUBGQSBMMVXDM-RIYZIHGNSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(8aS)-7-methyl-8a-(2-methylprop-2-enyl)-1,2,5,8-tetrahydroindolizin-3-one
CID 58193768
(8aR)-7-methyl-8a-(2-methylprop-2-enyl)-1,2,5,8-tetrahydroindolizin-3-one
CID 58193784
1,2,8,8A-tetrahydroindolizin-3(5H)-one
CID 15857276
(9aS)-9-prop-1-en-2-yl-1,2,5,6,7,9a-hexahydropyrrolo[1,2-a]azepin-3-one
CID 10797798
7-Methyl-1,2,5,8-tetrahydropyrrolizin-3-one
CID 11829507
8-methyl-2,5,6,8a-tetrahydro-1H-indolizin-3-one
CID 12913464
8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one
CID 73115230
(8aS)-6-methyl-8a-prop-2-enyl-1,2,5,8-tetrahydroindolizin-3-one
CID 101720952
2-Ethenyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one
CID 135070333
2-Ethenyl-7-methyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one
CID 135070771
(8aS)-7-methyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one
CID 5325735
(6E)-6-heptylidene-8-methyl-1,2,5,7-tetrahydroindolizin-3-one
CID 10490740

Frequently Asked Questions

What is the IUPAC name of (6E)-6-heptylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one?
The IUPAC name of (6E)-6-heptylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one (CID 10753036) is (6E)-6-heptylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one.
What is the SMILES notation for (6E)-6-heptylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one?
The canonical SMILES for (6E)-6-heptylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one is CCCCCC/C=C1\C=C(C)C2CCC(=O)N2C1.
What is the InChIKey of (6E)-6-heptylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one?
The InChIKey is NQUBGQSBMMVXDM-RIYZIHGNSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-4-5-6-7-8-14-11-13(2)15-9-10-16(18)17(15)12-14/h8,11,15H,3-7,9-10,12H2,1-2H3/b14-8+.
What are the key properties of (6E)-6-heptylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one?
(6E)-6-heptylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one has a molecular weight of 247.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-heptylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one is sourced from PubChem (CID 10753036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).