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

C14H23NO — CID 102089569

IUPAC(2R)-2-pentyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one
SMILESCCCCC[C@@H]1CCC2=C(CCCC2=O)N1
InChIInChI=1S/C14H23NO/c1-2-3-4-6-11-9-10-12-13(15-11)7-5-8-14(12)16/h11,15H,2-10H2,1H3/t11-/m1/s1
InChIKeyYUNZGZKQTBEGGV-LLVKDONJSA-N
MW221.34 g/mol
LogP3.33
Rot. Bonds4

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

(2R)-2-pentyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one (PubChem CID 102089569) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2R)-2-pentyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one.

Molecular Properties

Compound Name(2R)-2-pentyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one
PubChem CID102089569
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2R)-2-pentyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one
SMILESCCCCC[C@@H]1CCC2=C(CCCC2=O)N1
InChIInChI=1S/C14H23NO/c1-2-3-4-6-11-9-10-12-13(15-11)7-5-8-14(12)16/h11,15H,2-10H2,1H3/t11-/m1/s1
InChIKeyYUNZGZKQTBEGGV-LLVKDONJSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-pentyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one?
The IUPAC name of (2R)-2-pentyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one (CID 102089569) is (2R)-2-pentyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one.
What is the SMILES notation for (2R)-2-pentyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one?
The canonical SMILES for (2R)-2-pentyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one is CCCCC[C@@H]1CCC2=C(CCCC2=O)N1.
What is the InChIKey of (2R)-2-pentyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one?
The InChIKey is YUNZGZKQTBEGGV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-3-4-6-11-9-10-12-13(15-11)7-5-8-14(12)16/h11,15H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-pentyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one?
(2R)-2-pentyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one has a molecular weight of 221.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-pentyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one is sourced from PubChem (CID 102089569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).