(1R,9aS)-1-methyl-7-methylidene-2,3,6,8,9,9a-hexahydro-1H-quinolizin-4-one

C11H17NO — CID 11401111

IUPAC(1R,9aS)-1-methyl-7-methylidene-2,3,6,8,9,9a-hexahydro-1H-quinolizin-4-one
SMILESC=C1CC[C@H]2[C@H](C)CCC(=O)N2C1
InChIInChI=1S/C11H17NO/c1-8-3-5-10-9(2)4-6-11(13)12(10)7-8/h9-10H,1,3-7H2,2H3/t9-,10+/m1/s1
InChIKeyUHMQFFDRYYIZML-ZJUUUORDSA-N
MW179.26 g/mol
LogP1.96
Rot. Bonds

About (1R,9aS)-1-methyl-7-methylidene-2,3,6,8,9,9a-hexahydro-1H-quinolizin-4-one

(1R,9aS)-1-methyl-7-methylidene-2,3,6,8,9,9a-hexahydro-1H-quinolizin-4-one (PubChem CID 11401111) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (1R,9aS)-1-methyl-7-methylidene-2,3,6,8,9,9a-hexahydro-1H-quinolizin-4-one.

Molecular Properties

Compound Name(1R,9aS)-1-methyl-7-methylidene-2,3,6,8,9,9a-hexahydro-1H-quinolizin-4-one
PubChem CID11401111
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(1R,9aS)-1-methyl-7-methylidene-2,3,6,8,9,9a-hexahydro-1H-quinolizin-4-one
SMILESC=C1CC[C@H]2[C@H](C)CCC(=O)N2C1
InChIInChI=1S/C11H17NO/c1-8-3-5-10-9(2)4-6-11(13)12(10)7-8/h9-10H,1,3-7H2,2H3/t9-,10+/m1/s1
InChIKeyUHMQFFDRYYIZML-ZJUUUORDSA-N
XLogP1.96
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 ≤ 51.96
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 (1R,9aS)-1-methyl-7-methylidene-2,3,6,8,9,9a-hexahydro-1H-quinolizin-4-one?
The IUPAC name of (1R,9aS)-1-methyl-7-methylidene-2,3,6,8,9,9a-hexahydro-1H-quinolizin-4-one (CID 11401111) is (1R,9aS)-1-methyl-7-methylidene-2,3,6,8,9,9a-hexahydro-1H-quinolizin-4-one.
What is the SMILES notation for (1R,9aS)-1-methyl-7-methylidene-2,3,6,8,9,9a-hexahydro-1H-quinolizin-4-one?
The canonical SMILES for (1R,9aS)-1-methyl-7-methylidene-2,3,6,8,9,9a-hexahydro-1H-quinolizin-4-one is C=C1CC[C@H]2[C@H](C)CCC(=O)N2C1.
What is the InChIKey of (1R,9aS)-1-methyl-7-methylidene-2,3,6,8,9,9a-hexahydro-1H-quinolizin-4-one?
The InChIKey is UHMQFFDRYYIZML-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-3-5-10-9(2)4-6-11(13)12(10)7-8/h9-10H,1,3-7H2,2H3/t9-,10+/m1/s1.
What are the key properties of (1R,9aS)-1-methyl-7-methylidene-2,3,6,8,9,9a-hexahydro-1H-quinolizin-4-one?
(1R,9aS)-1-methyl-7-methylidene-2,3,6,8,9,9a-hexahydro-1H-quinolizin-4-one has a molecular weight of 179.26 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9aS)-1-methyl-7-methylidene-2,3,6,8,9,9a-hexahydro-1H-quinolizin-4-one is sourced from PubChem (CID 11401111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).