(9R,9aR)-9-methyl-9a,10-dihydro-9H-pyrido[1,2-a]indol-6-one

C13H13NO — CID 102526166

IUPAC(9R,9aR)-9-methyl-9a,10-dihydro-9H-pyrido[1,2-a]indol-6-one
SMILESC[C@@H]1C=CC(=O)N2c3ccccc3C[C@H]12
InChIInChI=1S/C13H13NO/c1-9-6-7-13(15)14-11-5-3-2-4-10(11)8-12(9)14/h2-7,9,12H,8H2,1H3/t9-,12-/m1/s1
InChIKeyREROMQZJBHNYIY-BXKDBHETSA-N
MW199.25 g/mol
LogP2.15
Rot. Bonds

About (9R,9aR)-9-methyl-9a,10-dihydro-9H-pyrido[1,2-a]indol-6-one

(9R,9aR)-9-methyl-9a,10-dihydro-9H-pyrido[1,2-a]indol-6-one (PubChem CID 102526166) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (9R,9aR)-9-methyl-9a,10-dihydro-9H-pyrido[1,2-a]indol-6-one.

Molecular Properties

Compound Name(9R,9aR)-9-methyl-9a,10-dihydro-9H-pyrido[1,2-a]indol-6-one
PubChem CID102526166
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(9R,9aR)-9-methyl-9a,10-dihydro-9H-pyrido[1,2-a]indol-6-one
SMILESC[C@@H]1C=CC(=O)N2c3ccccc3C[C@H]12
InChIInChI=1S/C13H13NO/c1-9-6-7-13(15)14-11-5-3-2-4-10(11)8-12(9)14/h2-7,9,12H,8H2,1H3/t9-,12-/m1/s1
InChIKeyREROMQZJBHNYIY-BXKDBHETSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (9R,9aR)-9-methyl-9a,10-dihydro-9H-pyrido[1,2-a]indol-6-one?
The IUPAC name of (9R,9aR)-9-methyl-9a,10-dihydro-9H-pyrido[1,2-a]indol-6-one (CID 102526166) is (9R,9aR)-9-methyl-9a,10-dihydro-9H-pyrido[1,2-a]indol-6-one.
What is the SMILES notation for (9R,9aR)-9-methyl-9a,10-dihydro-9H-pyrido[1,2-a]indol-6-one?
The canonical SMILES for (9R,9aR)-9-methyl-9a,10-dihydro-9H-pyrido[1,2-a]indol-6-one is C[C@@H]1C=CC(=O)N2c3ccccc3C[C@H]12.
What is the InChIKey of (9R,9aR)-9-methyl-9a,10-dihydro-9H-pyrido[1,2-a]indol-6-one?
The InChIKey is REROMQZJBHNYIY-BXKDBHETSA-N. The full InChI is InChI=1S/C13H13NO/c1-9-6-7-13(15)14-11-5-3-2-4-10(11)8-12(9)14/h2-7,9,12H,8H2,1H3/t9-,12-/m1/s1.
What are the key properties of (9R,9aR)-9-methyl-9a,10-dihydro-9H-pyrido[1,2-a]indol-6-one?
(9R,9aR)-9-methyl-9a,10-dihydro-9H-pyrido[1,2-a]indol-6-one has a molecular weight of 199.25 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,9aR)-9-methyl-9a,10-dihydro-9H-pyrido[1,2-a]indol-6-one is sourced from PubChem (CID 102526166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).