(1S,5aS,9aR)-1-methyl-2,3,5a,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]quinolin-5-one

C13H19NO — CID 15686597

IUPAC(1S,5aS,9aR)-1-methyl-2,3,5a,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]quinolin-5-one
SMILESC[C@H]1CCC2=CC(=O)[C@H]3CCCC[C@H]3N21
InChIInChI=1S/C13H19NO/c1-9-6-7-10-8-13(15)11-4-2-3-5-12(11)14(9)10/h8-9,11-12H,2-7H2,1H3/t9-,11-,12+/m0/s1
InChIKeyUJVXUEKMIHBEFH-ZMLRMANQSA-N
MW205.30 g/mol
LogP2.50
Rot. Bonds

About (1S,5aS,9aR)-1-methyl-2,3,5a,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]quinolin-5-one

(1S,5aS,9aR)-1-methyl-2,3,5a,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]quinolin-5-one (PubChem CID 15686597) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1S,5aS,9aR)-1-methyl-2,3,5a,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]quinolin-5-one.

Molecular Properties

Compound Name(1S,5aS,9aR)-1-methyl-2,3,5a,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]quinolin-5-one
PubChem CID15686597
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1S,5aS,9aR)-1-methyl-2,3,5a,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]quinolin-5-one
SMILESC[C@H]1CCC2=CC(=O)[C@H]3CCCC[C@H]3N21
InChIInChI=1S/C13H19NO/c1-9-6-7-10-8-13(15)11-4-2-3-5-12(11)14(9)10/h8-9,11-12H,2-7H2,1H3/t9-,11-,12+/m0/s1
InChIKeyUJVXUEKMIHBEFH-ZMLRMANQSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,5aS,9aR)-1-methyl-2,3,5a,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]quinolin-5-one with MolForge

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Related Compounds

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CID 70504504
4-(2-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)cyclohexan-1-one
CID 168964656
6-methyl-1-azabicyclo[3.1.0]hexan-2-one
CID 143719689
2,9-dimethyl-2,9-diazatricyclo[8.4.0.04,7]tetradecane-3,8-dione
CID 167951497
3-ethoxy-4,5,6,7,8,8a-hexahydro-3aH-azulen-1-one
CID 10488062
(4aR,8aR)-1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 1381987
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CID 100963048
(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 13235574
(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 13235573
3-(2-methylcyclohexyl)pyrrole-2,5-dione
CID 67832248

Frequently Asked Questions

What is the IUPAC name of (1S,5aS,9aR)-1-methyl-2,3,5a,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]quinolin-5-one?
The IUPAC name of (1S,5aS,9aR)-1-methyl-2,3,5a,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]quinolin-5-one (CID 15686597) is (1S,5aS,9aR)-1-methyl-2,3,5a,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]quinolin-5-one.
What is the SMILES notation for (1S,5aS,9aR)-1-methyl-2,3,5a,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]quinolin-5-one?
The canonical SMILES for (1S,5aS,9aR)-1-methyl-2,3,5a,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]quinolin-5-one is C[C@H]1CCC2=CC(=O)[C@H]3CCCC[C@H]3N21.
What is the InChIKey of (1S,5aS,9aR)-1-methyl-2,3,5a,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]quinolin-5-one?
The InChIKey is UJVXUEKMIHBEFH-ZMLRMANQSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-6-7-10-8-13(15)11-4-2-3-5-12(11)14(9)10/h8-9,11-12H,2-7H2,1H3/t9-,11-,12+/m0/s1.
What are the key properties of (1S,5aS,9aR)-1-methyl-2,3,5a,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]quinolin-5-one?
(1S,5aS,9aR)-1-methyl-2,3,5a,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]quinolin-5-one has a molecular weight of 205.30 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5aS,9aR)-1-methyl-2,3,5a,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]quinolin-5-one is sourced from PubChem (CID 15686597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).