2,2-dimethyl-3,6,7,8-tetrahydro-1H-quinolizin-4-one

C11H17NO — CID 132539023

IUPAC2,2-dimethyl-3,6,7,8-tetrahydro-1H-quinolizin-4-one
SMILESCC1(C)CC(=O)N2CCCC=C2C1
InChIInChI=1S/C11H17NO/c1-11(2)7-9-5-3-4-6-12(9)10(13)8-11/h5H,3-4,6-8H2,1-2H3
InChIKeyWHTHWUDMQYVVEC-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.31
Rot. Bonds

About 2,2-dimethyl-3,6,7,8-tetrahydro-1H-quinolizin-4-one

2,2-dimethyl-3,6,7,8-tetrahydro-1H-quinolizin-4-one (PubChem CID 132539023) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2,2-dimethyl-3,6,7,8-tetrahydro-1H-quinolizin-4-one.

Molecular Properties

Compound Name2,2-dimethyl-3,6,7,8-tetrahydro-1H-quinolizin-4-one
PubChem CID132539023
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2,2-dimethyl-3,6,7,8-tetrahydro-1H-quinolizin-4-one
SMILESCC1(C)CC(=O)N2CCCC=C2C1
InChIInChI=1S/C11H17NO/c1-11(2)7-9-5-3-4-6-12(9)10(13)8-11/h5H,3-4,6-8H2,1-2H3
InChIKeyWHTHWUDMQYVVEC-UHFFFAOYSA-N
XLogP2.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,6,7,8-tetrahydro-1H-quinolizin-4-one?
The IUPAC name of 2,2-dimethyl-3,6,7,8-tetrahydro-1H-quinolizin-4-one (CID 132539023) is 2,2-dimethyl-3,6,7,8-tetrahydro-1H-quinolizin-4-one.
What is the SMILES notation for 2,2-dimethyl-3,6,7,8-tetrahydro-1H-quinolizin-4-one?
The canonical SMILES for 2,2-dimethyl-3,6,7,8-tetrahydro-1H-quinolizin-4-one is CC1(C)CC(=O)N2CCCC=C2C1.
What is the InChIKey of 2,2-dimethyl-3,6,7,8-tetrahydro-1H-quinolizin-4-one?
The InChIKey is WHTHWUDMQYVVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2)7-9-5-3-4-6-12(9)10(13)8-11/h5H,3-4,6-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-3,6,7,8-tetrahydro-1H-quinolizin-4-one?
2,2-dimethyl-3,6,7,8-tetrahydro-1H-quinolizin-4-one has a molecular weight of 179.26 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,6,7,8-tetrahydro-1H-quinolizin-4-one is sourced from PubChem (CID 132539023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).