1-butyl-3-methyl-5,6,7,8-tetrahydroquinolin-2-one

C14H21NO — CID 13169243

IUPAC1-butyl-3-methyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCCn1c2c(cc(C)c1=O)CCCC2
InChIInChI=1S/C14H21NO/c1-3-4-9-15-13-8-6-5-7-12(13)10-11(2)14(15)16/h10H,3-9H2,1-2H3
InChIKeyAAYUYRCVIORGHP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.84
Rot. Bonds3

About 1-butyl-3-methyl-5,6,7,8-tetrahydroquinolin-2-one

1-butyl-3-methyl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 13169243) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-butyl-3-methyl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-butyl-3-methyl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID13169243
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-butyl-3-methyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCCn1c2c(cc(C)c1=O)CCCC2
InChIInChI=1S/C14H21NO/c1-3-4-9-15-13-8-6-5-7-12(13)10-11(2)14(15)16/h10H,3-9H2,1-2H3
InChIKeyAAYUYRCVIORGHP-UHFFFAOYSA-N
XLogP2.84
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-butyl-3-methyl-5,6,7,8-tetrahydroquinolin-2-one (CID 13169243) is 1-butyl-3-methyl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-butyl-3-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-butyl-3-methyl-5,6,7,8-tetrahydroquinolin-2-one is CCCCn1c2c(cc(C)c1=O)CCCC2.
What is the InChIKey of 1-butyl-3-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is AAYUYRCVIORGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-4-9-15-13-8-6-5-7-12(13)10-11(2)14(15)16/h10H,3-9H2,1-2H3.
What are the key properties of 1-butyl-3-methyl-5,6,7,8-tetrahydroquinolin-2-one?
1-butyl-3-methyl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 219.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 13169243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).