5-amino-1-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinolin-2-one

C14H20N2O — CID 10263358

IUPAC5-amino-1-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)=CCn1c2c(ccc1=O)C(N)CCC2
InChIInChI=1S/C14H20N2O/c1-10(2)8-9-16-13-5-3-4-12(15)11(13)6-7-14(16)17/h6-8,12H,3-5,9,15H2,1-2H3
InChIKeyOHJKDRWPJOVOAS-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.15
Rot. Bonds2

About 5-amino-1-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinolin-2-one

5-amino-1-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 10263358) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-amino-1-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-amino-1-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID10263358
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5-amino-1-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)=CCn1c2c(ccc1=O)C(N)CCC2
InChIInChI=1S/C14H20N2O/c1-10(2)8-9-16-13-5-3-4-12(15)11(13)6-7-14(16)17/h6-8,12H,3-5,9,15H2,1-2H3
InChIKeyOHJKDRWPJOVOAS-UHFFFAOYSA-N
XLogP2.15
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-amino-1-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 10263358) is 5-amino-1-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-amino-1-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-amino-1-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinolin-2-one is CC(C)=CCn1c2c(ccc1=O)C(N)CCC2.
What is the InChIKey of 5-amino-1-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is OHJKDRWPJOVOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)8-9-16-13-5-3-4-12(15)11(13)6-7-14(16)17/h6-8,12H,3-5,9,15H2,1-2H3.
What are the key properties of 5-amino-1-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinolin-2-one?
5-amino-1-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 10263358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).