(8aS)-7-methyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one

C10H13NO — CID 5325735

IUPAC(8aS)-7-methyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one
SMILESC=C1CN2C(=O)CC[C@H]2C=C1C
InChIInChI=1S/C10H13NO/c1-7-5-9-3-4-10(12)11(9)6-8(7)2/h5,9H,2-4,6H2,1H3/t9-/m0/s1
InChIKeyJUWDDZZIWMXJKE-VIFPVBQESA-N
MW163.22 g/mol
LogP1.49
Rot. Bonds

About (8aS)-7-methyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one

(8aS)-7-methyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one (PubChem CID 5325735) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (8aS)-7-methyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one.

Molecular Properties

Compound Name(8aS)-7-methyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one
PubChem CID5325735
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(8aS)-7-methyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one
SMILESC=C1CN2C(=O)CC[C@H]2C=C1C
InChIInChI=1S/C10H13NO/c1-7-5-9-3-4-10(12)11(9)6-8(7)2/h5,9H,2-4,6H2,1H3/t9-/m0/s1
InChIKeyJUWDDZZIWMXJKE-VIFPVBQESA-N
XLogP1.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8aS)-7-methyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one?
The IUPAC name of (8aS)-7-methyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one (CID 5325735) is (8aS)-7-methyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one.
What is the SMILES notation for (8aS)-7-methyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one?
The canonical SMILES for (8aS)-7-methyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one is C=C1CN2C(=O)CC[C@H]2C=C1C.
What is the InChIKey of (8aS)-7-methyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one?
The InChIKey is JUWDDZZIWMXJKE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO/c1-7-5-9-3-4-10(12)11(9)6-8(7)2/h5,9H,2-4,6H2,1H3/t9-/m0/s1.
What are the key properties of (8aS)-7-methyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one?
(8aS)-7-methyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one has a molecular weight of 163.22 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-7-methyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one is sourced from PubChem (CID 5325735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).