(11aS)-1,2,3,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-5-one

C12H19NO — CID 135038985

IUPAC(11aS)-1,2,3,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-5-one
SMILESO=C1CCC2CCCC[C@]23CCCN13
InChIInChI=1S/C12H19NO/c14-11-6-5-10-4-1-2-7-12(10)8-3-9-13(11)12/h10H,1-9H2/t10?,12-/m0/s1
InChIKeyKSZCUAMZULKSDH-KFJBMODSSA-N
MW193.29 g/mol
LogP2.33
Rot. Bonds

About (11aS)-1,2,3,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-5-one

(11aS)-1,2,3,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-5-one (PubChem CID 135038985) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (11aS)-1,2,3,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-5-one.

Molecular Properties

Compound Name(11aS)-1,2,3,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-5-one
PubChem CID135038985
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(11aS)-1,2,3,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-5-one
SMILESO=C1CCC2CCCC[C@]23CCCN13
InChIInChI=1S/C12H19NO/c14-11-6-5-10-4-1-2-7-12(10)8-3-9-13(11)12/h10H,1-9H2/t10?,12-/m0/s1
InChIKeyKSZCUAMZULKSDH-KFJBMODSSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (11aS)-1,2,3,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-5-one?
The IUPAC name of (11aS)-1,2,3,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-5-one (CID 135038985) is (11aS)-1,2,3,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-5-one.
What is the SMILES notation for (11aS)-1,2,3,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-5-one?
The canonical SMILES for (11aS)-1,2,3,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-5-one is O=C1CCC2CCCC[C@]23CCCN13.
What is the InChIKey of (11aS)-1,2,3,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-5-one?
The InChIKey is KSZCUAMZULKSDH-KFJBMODSSA-N. The full InChI is InChI=1S/C12H19NO/c14-11-6-5-10-4-1-2-7-12(10)8-3-9-13(11)12/h10H,1-9H2/t10?,12-/m0/s1.
What are the key properties of (11aS)-1,2,3,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-5-one?
(11aS)-1,2,3,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-5-one has a molecular weight of 193.29 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11aS)-1,2,3,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-5-one is sourced from PubChem (CID 135038985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).