(1E)-1-(2-methylpropylidene)-6,7,8,8a-tetrahydro-5H-indolizin-3-one

C12H19NO — CID 10856344

IUPAC(1E)-1-(2-methylpropylidene)-6,7,8,8a-tetrahydro-5H-indolizin-3-one
SMILESCC(C)/C=C1\CC(=O)N2CCCCC12
InChIInChI=1S/C12H19NO/c1-9(2)7-10-8-12(14)13-6-4-3-5-11(10)13/h7,9,11H,3-6,8H2,1-2H3/b10-7+
InChIKeyIHVJHAZIYIFIDE-JXMROGBWSA-N
MW193.29 g/mol
LogP2.35
Rot. Bonds1

About (1E)-1-(2-methylpropylidene)-6,7,8,8a-tetrahydro-5H-indolizin-3-one

(1E)-1-(2-methylpropylidene)-6,7,8,8a-tetrahydro-5H-indolizin-3-one (PubChem CID 10856344) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (1E)-1-(2-methylpropylidene)-6,7,8,8a-tetrahydro-5H-indolizin-3-one.

Molecular Properties

Compound Name(1E)-1-(2-methylpropylidene)-6,7,8,8a-tetrahydro-5H-indolizin-3-one
PubChem CID10856344
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(1E)-1-(2-methylpropylidene)-6,7,8,8a-tetrahydro-5H-indolizin-3-one
SMILESCC(C)/C=C1\CC(=O)N2CCCCC12
InChIInChI=1S/C12H19NO/c1-9(2)7-10-8-12(14)13-6-4-3-5-11(10)13/h7,9,11H,3-6,8H2,1-2H3/b10-7+
InChIKeyIHVJHAZIYIFIDE-JXMROGBWSA-N
XLogP2.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-(2-methylpropylidene)-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
The IUPAC name of (1E)-1-(2-methylpropylidene)-6,7,8,8a-tetrahydro-5H-indolizin-3-one (CID 10856344) is (1E)-1-(2-methylpropylidene)-6,7,8,8a-tetrahydro-5H-indolizin-3-one.
What is the SMILES notation for (1E)-1-(2-methylpropylidene)-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
The canonical SMILES for (1E)-1-(2-methylpropylidene)-6,7,8,8a-tetrahydro-5H-indolizin-3-one is CC(C)/C=C1\CC(=O)N2CCCCC12.
What is the InChIKey of (1E)-1-(2-methylpropylidene)-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
The InChIKey is IHVJHAZIYIFIDE-JXMROGBWSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)7-10-8-12(14)13-6-4-3-5-11(10)13/h7,9,11H,3-6,8H2,1-2H3/b10-7+.
What are the key properties of (1E)-1-(2-methylpropylidene)-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
(1E)-1-(2-methylpropylidene)-6,7,8,8a-tetrahydro-5H-indolizin-3-one has a molecular weight of 193.29 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(2-methylpropylidene)-6,7,8,8a-tetrahydro-5H-indolizin-3-one is sourced from PubChem (CID 10856344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).