(6Z,8aS)-6-butylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one

C13H19NO — CID 10798290

IUPAC(6Z,8aS)-6-butylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one
SMILESCCC/C=C1/C=C(C)[C@@H]2CCC(=O)N2C1
InChIInChI=1S/C13H19NO/c1-3-4-5-11-8-10(2)12-6-7-13(15)14(12)9-11/h5,8,12H,3-4,6-7,9H2,1-2H3/b11-5-/t12-/m0/s1
InChIKeyUEQQJCVEPXIGIT-QJGQKNTRSA-N
MW205.30 g/mol
LogP2.66
Rot. Bonds2

About (6Z,8aS)-6-butylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one

(6Z,8aS)-6-butylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one (PubChem CID 10798290) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (6Z,8aS)-6-butylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one.

Molecular Properties

Compound Name(6Z,8aS)-6-butylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one
PubChem CID10798290
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(6Z,8aS)-6-butylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one
SMILESCCC/C=C1/C=C(C)[C@@H]2CCC(=O)N2C1
InChIInChI=1S/C13H19NO/c1-3-4-5-11-8-10(2)12-6-7-13(15)14(12)9-11/h5,8,12H,3-4,6-7,9H2,1-2H3/b11-5-/t12-/m0/s1
InChIKeyUEQQJCVEPXIGIT-QJGQKNTRSA-N
XLogP2.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6Z,8aS)-6-butylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one?
The IUPAC name of (6Z,8aS)-6-butylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one (CID 10798290) is (6Z,8aS)-6-butylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one.
What is the SMILES notation for (6Z,8aS)-6-butylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one?
The canonical SMILES for (6Z,8aS)-6-butylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one is CCC/C=C1/C=C(C)[C@@H]2CCC(=O)N2C1.
What is the InChIKey of (6Z,8aS)-6-butylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one?
The InChIKey is UEQQJCVEPXIGIT-QJGQKNTRSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-4-5-11-8-10(2)12-6-7-13(15)14(12)9-11/h5,8,12H,3-4,6-7,9H2,1-2H3/b11-5-/t12-/m0/s1.
What are the key properties of (6Z,8aS)-6-butylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one?
(6Z,8aS)-6-butylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one has a molecular weight of 205.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8aS)-6-butylidene-8-methyl-1,2,5,8a-tetrahydroindolizin-3-one is sourced from PubChem (CID 10798290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).