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

C14H17NO — CID 19011139

IUPAC2-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one
SMILESCC1CC2c3ccccc3CCC2NC1=O
InChIInChI=1S/C14H17NO/c1-9-8-12-11-5-3-2-4-10(11)6-7-13(12)15-14(9)16/h2-5,9,12-13H,6-8H2,1H3,(H,15,16)
InChIKeyRXSRRMONNPXJQR-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.24
Rot. Bonds

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

2-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one (PubChem CID 19011139) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name2-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one
PubChem CID19011139
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one
SMILESCC1CC2c3ccccc3CCC2NC1=O
InChIInChI=1S/C14H17NO/c1-9-8-12-11-5-3-2-4-10(11)6-7-13(12)15-14(9)16/h2-5,9,12-13H,6-8H2,1H3,(H,15,16)
InChIKeyRXSRRMONNPXJQR-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of 2-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one (CID 19011139) is 2-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for 2-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for 2-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one is CC1CC2c3ccccc3CCC2NC1=O.
What is the InChIKey of 2-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one?
The InChIKey is RXSRRMONNPXJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-9-8-12-11-5-3-2-4-10(11)6-7-13(12)15-14(9)16/h2-5,9,12-13H,6-8H2,1H3,(H,15,16).
What are the key properties of 2-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one?
2-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 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 19011139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).