(2S)-2-propyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one

C12H19NO — CID 11240977

IUPAC(2S)-2-propyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one
SMILESCCC[C@H]1CCC2=C(CCCC2=O)N1
InChIInChI=1S/C12H19NO/c1-2-4-9-7-8-10-11(13-9)5-3-6-12(10)14/h9,13H,2-8H2,1H3/t9-/m0/s1
InChIKeyHNVIIBREXMLBSS-VIFPVBQESA-N
MW193.29 g/mol
LogP2.55
Rot. Bonds2

About (2S)-2-propyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one

(2S)-2-propyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one (PubChem CID 11240977) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2S)-2-propyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one.

Molecular Properties

Compound Name(2S)-2-propyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one
PubChem CID11240977
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2S)-2-propyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one
SMILESCCC[C@H]1CCC2=C(CCCC2=O)N1
InChIInChI=1S/C12H19NO/c1-2-4-9-7-8-10-11(13-9)5-3-6-12(10)14/h9,13H,2-8H2,1H3/t9-/m0/s1
InChIKeyHNVIIBREXMLBSS-VIFPVBQESA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-propyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one?
The IUPAC name of (2S)-2-propyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one (CID 11240977) is (2S)-2-propyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one.
What is the SMILES notation for (2S)-2-propyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one?
The canonical SMILES for (2S)-2-propyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one is CCC[C@H]1CCC2=C(CCCC2=O)N1.
What is the InChIKey of (2S)-2-propyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one?
The InChIKey is HNVIIBREXMLBSS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19NO/c1-2-4-9-7-8-10-11(13-9)5-3-6-12(10)14/h9,13H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-propyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one?
(2S)-2-propyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one has a molecular weight of 193.29 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-propyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one is sourced from PubChem (CID 11240977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).