(6S,11bR)-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one

C14H17NO — CID 125486895

IUPAC(6S,11bR)-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
SMILESC[C@H]1Cc2ccccc2[C@H]2CC(=O)CCN21
InChIInChI=1S/C14H17NO/c1-10-8-11-4-2-3-5-13(11)14-9-12(16)6-7-15(10)14/h2-5,10,14H,6-9H2,1H3/t10-,14+/m0/s1
InChIKeySPGYMSKFFKWKBC-IINYFYTJSA-N
MW215.30 g/mol
LogP2.34
Rot. Bonds

About (6S,11bR)-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one

(6S,11bR)-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one (PubChem CID 125486895) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (6S,11bR)-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one.

Molecular Properties

Compound Name(6S,11bR)-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
PubChem CID125486895
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(6S,11bR)-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
SMILESC[C@H]1Cc2ccccc2[C@H]2CC(=O)CCN21
InChIInChI=1S/C14H17NO/c1-10-8-11-4-2-3-5-13(11)14-9-12(16)6-7-15(10)14/h2-5,10,14H,6-9H2,1H3/t10-,14+/m0/s1
InChIKeySPGYMSKFFKWKBC-IINYFYTJSA-N
XLogP2.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S,11bR)-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one?
The IUPAC name of (6S,11bR)-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one (CID 125486895) is (6S,11bR)-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one.
What is the SMILES notation for (6S,11bR)-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one?
The canonical SMILES for (6S,11bR)-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one is C[C@H]1Cc2ccccc2[C@H]2CC(=O)CCN21.
What is the InChIKey of (6S,11bR)-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one?
The InChIKey is SPGYMSKFFKWKBC-IINYFYTJSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-8-11-4-2-3-5-13(11)14-9-12(16)6-7-15(10)14/h2-5,10,14H,6-9H2,1H3/t10-,14+/m0/s1.
What are the key properties of (6S,11bR)-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one?
(6S,11bR)-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one has a molecular weight of 215.30 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,11bR)-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one is sourced from PubChem (CID 125486895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).