1,1,2,2,6,6,8a-heptamethyl-7,8-dihydro-5H-indolizin-3-one

C15H27NO — CID 18725347

IUPAC1,1,2,2,6,6,8a-heptamethyl-7,8-dihydro-5H-indolizin-3-one
SMILESCC1(C)CCC2(C)N(C1)C(=O)C(C)(C)C2(C)C
InChIInChI=1S/C15H27NO/c1-12(2)8-9-15(7)14(5,6)13(3,4)11(17)16(15)10-12/h8-10H2,1-7H3
InChIKeyGGVUOGMJQKZMOR-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.46
Rot. Bonds

About 1,1,2,2,6,6,8a-heptamethyl-7,8-dihydro-5H-indolizin-3-one

1,1,2,2,6,6,8a-heptamethyl-7,8-dihydro-5H-indolizin-3-one (PubChem CID 18725347) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1,1,2,2,6,6,8a-heptamethyl-7,8-dihydro-5H-indolizin-3-one.

Molecular Properties

Compound Name1,1,2,2,6,6,8a-heptamethyl-7,8-dihydro-5H-indolizin-3-one
PubChem CID18725347
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1,1,2,2,6,6,8a-heptamethyl-7,8-dihydro-5H-indolizin-3-one
SMILESCC1(C)CCC2(C)N(C1)C(=O)C(C)(C)C2(C)C
InChIInChI=1S/C15H27NO/c1-12(2)8-9-15(7)14(5,6)13(3,4)11(17)16(15)10-12/h8-10H2,1-7H3
InChIKeyGGVUOGMJQKZMOR-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,6,6,8a-heptamethyl-7,8-dihydro-5H-indolizin-3-one?
The IUPAC name of 1,1,2,2,6,6,8a-heptamethyl-7,8-dihydro-5H-indolizin-3-one (CID 18725347) is 1,1,2,2,6,6,8a-heptamethyl-7,8-dihydro-5H-indolizin-3-one.
What is the SMILES notation for 1,1,2,2,6,6,8a-heptamethyl-7,8-dihydro-5H-indolizin-3-one?
The canonical SMILES for 1,1,2,2,6,6,8a-heptamethyl-7,8-dihydro-5H-indolizin-3-one is CC1(C)CCC2(C)N(C1)C(=O)C(C)(C)C2(C)C.
What is the InChIKey of 1,1,2,2,6,6,8a-heptamethyl-7,8-dihydro-5H-indolizin-3-one?
The InChIKey is GGVUOGMJQKZMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-12(2)8-9-15(7)14(5,6)13(3,4)11(17)16(15)10-12/h8-10H2,1-7H3.
What are the key properties of 1,1,2,2,6,6,8a-heptamethyl-7,8-dihydro-5H-indolizin-3-one?
1,1,2,2,6,6,8a-heptamethyl-7,8-dihydro-5H-indolizin-3-one has a molecular weight of 237.39 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,6,6,8a-heptamethyl-7,8-dihydro-5H-indolizin-3-one is sourced from PubChem (CID 18725347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).