(1S,4R,9R)-1-tert-butyl-9-methoxy-4-methyl-1,2,4,9-tetrahydroindeno[2,1-c]pyridin-3-one

C18H23NO2 — CID 10589219

IUPAC(1S,4R,9R)-1-tert-butyl-9-methoxy-4-methyl-1,2,4,9-tetrahydroindeno[2,1-c]pyridin-3-one
SMILESCO[C@H]1C2=C(c3ccccc31)[C@@H](C)C(=O)N[C@H]2C(C)(C)C
InChIInChI=1S/C18H23NO2/c1-10-13-11-8-6-7-9-12(11)15(21-5)14(13)16(18(2,3)4)19-17(10)20/h6-10,15-16H,1-5H3,(H,19,20)/t10-,15-,16-/m1/s1
InChIKeyCPLXFYURJKWHMW-UHNFBRDESA-N
MW285.39 g/mol
LogP3.32
Rot. Bonds1

About (1S,4R,9R)-1-tert-butyl-9-methoxy-4-methyl-1,2,4,9-tetrahydroindeno[2,1-c]pyridin-3-one

(1S,4R,9R)-1-tert-butyl-9-methoxy-4-methyl-1,2,4,9-tetrahydroindeno[2,1-c]pyridin-3-one (PubChem CID 10589219) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (1S,4R,9R)-1-tert-butyl-9-methoxy-4-methyl-1,2,4,9-tetrahydroindeno[2,1-c]pyridin-3-one.

Molecular Properties

Compound Name(1S,4R,9R)-1-tert-butyl-9-methoxy-4-methyl-1,2,4,9-tetrahydroindeno[2,1-c]pyridin-3-one
PubChem CID10589219
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(1S,4R,9R)-1-tert-butyl-9-methoxy-4-methyl-1,2,4,9-tetrahydroindeno[2,1-c]pyridin-3-one
SMILESCO[C@H]1C2=C(c3ccccc31)[C@@H](C)C(=O)N[C@H]2C(C)(C)C
InChIInChI=1S/C18H23NO2/c1-10-13-11-8-6-7-9-12(11)15(21-5)14(13)16(18(2,3)4)19-17(10)20/h6-10,15-16H,1-5H3,(H,19,20)/t10-,15-,16-/m1/s1
InChIKeyCPLXFYURJKWHMW-UHNFBRDESA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,9R)-1-tert-butyl-9-methoxy-4-methyl-1,2,4,9-tetrahydroindeno[2,1-c]pyridin-3-one?
The IUPAC name of (1S,4R,9R)-1-tert-butyl-9-methoxy-4-methyl-1,2,4,9-tetrahydroindeno[2,1-c]pyridin-3-one (CID 10589219) is (1S,4R,9R)-1-tert-butyl-9-methoxy-4-methyl-1,2,4,9-tetrahydroindeno[2,1-c]pyridin-3-one.
What is the SMILES notation for (1S,4R,9R)-1-tert-butyl-9-methoxy-4-methyl-1,2,4,9-tetrahydroindeno[2,1-c]pyridin-3-one?
The canonical SMILES for (1S,4R,9R)-1-tert-butyl-9-methoxy-4-methyl-1,2,4,9-tetrahydroindeno[2,1-c]pyridin-3-one is CO[C@H]1C2=C(c3ccccc31)[C@@H](C)C(=O)N[C@H]2C(C)(C)C.
What is the InChIKey of (1S,4R,9R)-1-tert-butyl-9-methoxy-4-methyl-1,2,4,9-tetrahydroindeno[2,1-c]pyridin-3-one?
The InChIKey is CPLXFYURJKWHMW-UHNFBRDESA-N. The full InChI is InChI=1S/C18H23NO2/c1-10-13-11-8-6-7-9-12(11)15(21-5)14(13)16(18(2,3)4)19-17(10)20/h6-10,15-16H,1-5H3,(H,19,20)/t10-,15-,16-/m1/s1.
What are the key properties of (1S,4R,9R)-1-tert-butyl-9-methoxy-4-methyl-1,2,4,9-tetrahydroindeno[2,1-c]pyridin-3-one?
(1S,4R,9R)-1-tert-butyl-9-methoxy-4-methyl-1,2,4,9-tetrahydroindeno[2,1-c]pyridin-3-one has a molecular weight of 285.39 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,9R)-1-tert-butyl-9-methoxy-4-methyl-1,2,4,9-tetrahydroindeno[2,1-c]pyridin-3-one is sourced from PubChem (CID 10589219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).