(4aS,10bS)-8-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one

C14H17NO — CID 54374837

IUPAC(4aS,10bS)-8-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one
SMILESCc1ccc2c(c1)CC[C@@H]1NC(=O)CC[C@@H]21
InChIInChI=1S/C14H17NO/c1-9-2-4-11-10(8-9)3-6-13-12(11)5-7-14(16)15-13/h2,4,8,12-13H,3,5-7H2,1H3,(H,15,16)/t12-,13-/m0/s1
InChIKeyUVTKRQBUIPGUEX-STQMWFEESA-N
MW215.30 g/mol
LogP2.30
Rot. Bonds

About (4aS,10bS)-8-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one

(4aS,10bS)-8-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one (PubChem CID 54374837) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (4aS,10bS)-8-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name(4aS,10bS)-8-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one
PubChem CID54374837
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(4aS,10bS)-8-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one
SMILESCc1ccc2c(c1)CC[C@@H]1NC(=O)CC[C@@H]21
InChIInChI=1S/C14H17NO/c1-9-2-4-11-10(8-9)3-6-13-12(11)5-7-14(16)15-13/h2,4,8,12-13H,3,5-7H2,1H3,(H,15,16)/t12-,13-/m0/s1
InChIKeyUVTKRQBUIPGUEX-STQMWFEESA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4aS,10bS)-8-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,10bS)-8-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of (4aS,10bS)-8-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one (CID 54374837) is (4aS,10bS)-8-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for (4aS,10bS)-8-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for (4aS,10bS)-8-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one is Cc1ccc2c(c1)CC[C@@H]1NC(=O)CC[C@@H]21.
What is the InChIKey of (4aS,10bS)-8-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one?
The InChIKey is UVTKRQBUIPGUEX-STQMWFEESA-N. The full InChI is InChI=1S/C14H17NO/c1-9-2-4-11-10(8-9)3-6-13-12(11)5-7-14(16)15-13/h2,4,8,12-13H,3,5-7H2,1H3,(H,15,16)/t12-,13-/m0/s1.
What are the key properties of (4aS,10bS)-8-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one?
(4aS,10bS)-8-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one has a molecular weight of 215.30 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,10bS)-8-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 54374837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).