2,2-dimethyl-6,7,8,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-4-one

C11H15NO3 — CID 75953062

IUPAC2,2-dimethyl-6,7,8,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-4-one
SMILESCC1(C)OC2C(=O)N3CCCC=C3C2O1
InChIInChI=1S/C11H15NO3/c1-11(2)14-8-7-5-3-4-6-12(7)10(13)9(8)15-11/h5,8-9H,3-4,6H2,1-2H3
InChIKeyPLTHBODCEYSKOP-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.03
Rot. Bonds

About 2,2-dimethyl-6,7,8,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-4-one

2,2-dimethyl-6,7,8,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-4-one (PubChem CID 75953062) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2,2-dimethyl-6,7,8,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-4-one.

Molecular Properties

Compound Name2,2-dimethyl-6,7,8,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-4-one
PubChem CID75953062
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2,2-dimethyl-6,7,8,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-4-one
SMILESCC1(C)OC2C(=O)N3CCCC=C3C2O1
InChIInChI=1S/C11H15NO3/c1-11(2)14-8-7-5-3-4-6-12(7)10(13)9(8)15-11/h5,8-9H,3-4,6H2,1-2H3
InChIKeyPLTHBODCEYSKOP-UHFFFAOYSA-N
XLogP1.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-6,7,8,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-4-one with MolForge

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Related Compounds

(3aS,9aR,9bS)-2,2-dimethyl-4-oxo-3a,6,7,8,9,9b-hexahydro-[1,3]dioxolo[4,5-a]indolizine-9a-carbonyl chloride
CID 11780716
(3aR,8aS,9aR)-2,2-dimethyl-6,8a,9,9a-tetrahydro-3aH-[1,3]dioxolo[4,5-f]indolizin-4-one
CID 10375801
(6aS)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 143329157
(3aR,8aR)-2,2-dimethyl-4,8a-dihydro-3aH-[1,3]dioxolo[4,5-c]oxepin-8-one
CID 11469474
(1S,14S)-6,9-dibenzyl-16,16-dimethyl-15,17-dioxa-3,6,9,12-tetrazabicyclo[12.3.0]heptadecane-2,13-dione
CID 11518621
2,2,6,6-tetramethyl-7,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-one
CID 76653251
2,2-dimethyl-3a,4,5,6-tetrahydro-1,3-benzodioxole
CID 71343182
2,2,6-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-one
CID 59119757
(6aS)-6-(hydroxymethyl)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 58635890
4,6-dihydroxy-2,2-dimethyl-4,7,8,8a-tetrahydro-3aH-[1,3]dioxolo[4,5-d]azepin-5-one
CID 67342047
2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 101128418
(3aR,6R,6aR)-2,2-dimethyl-6-(3-methylphenyl)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 167461286

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6,7,8,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-4-one?
The IUPAC name of 2,2-dimethyl-6,7,8,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-4-one (CID 75953062) is 2,2-dimethyl-6,7,8,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-4-one.
What is the SMILES notation for 2,2-dimethyl-6,7,8,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-4-one?
The canonical SMILES for 2,2-dimethyl-6,7,8,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-4-one is CC1(C)OC2C(=O)N3CCCC=C3C2O1.
What is the InChIKey of 2,2-dimethyl-6,7,8,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-4-one?
The InChIKey is PLTHBODCEYSKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(2)14-8-7-5-3-4-6-12(7)10(13)9(8)15-11/h5,8-9H,3-4,6H2,1-2H3.
What are the key properties of 2,2-dimethyl-6,7,8,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-4-one?
2,2-dimethyl-6,7,8,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-4-one has a molecular weight of 209.24 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6,7,8,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-4-one is sourced from PubChem (CID 75953062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).