6-[(E)-5-aminopent-1-enyl]-1-methyl-3,4-dihydroquinolin-2-one

C15H20N2O — CID 82294405

IUPAC6-[(E)-5-aminopent-1-enyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(/C=C/CCCN)ccc21
InChIInChI=1S/C15H20N2O/c1-17-14-8-6-12(5-3-2-4-10-16)11-13(14)7-9-15(17)18/h3,5-6,8,11H,2,4,7,9-10,16H2,1H3/b5-3+
InChIKeyKDLMRZWQNQGPPS-HWKANZROSA-N
MW244.34 g/mol
LogP2.35
Rot. Bonds4

About 6-[(E)-5-aminopent-1-enyl]-1-methyl-3,4-dihydroquinolin-2-one

6-[(E)-5-aminopent-1-enyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 82294405) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 6-[(E)-5-aminopent-1-enyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[(E)-5-aminopent-1-enyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID82294405
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name6-[(E)-5-aminopent-1-enyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(/C=C/CCCN)ccc21
InChIInChI=1S/C15H20N2O/c1-17-14-8-6-12(5-3-2-4-10-16)11-13(14)7-9-15(17)18/h3,5-6,8,11H,2,4,7,9-10,16H2,1H3/b5-3+
InChIKeyKDLMRZWQNQGPPS-HWKANZROSA-N
XLogP2.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.35
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 6-[(E)-5-aminopent-1-enyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[(E)-5-aminopent-1-enyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 82294405) is 6-[(E)-5-aminopent-1-enyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[(E)-5-aminopent-1-enyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[(E)-5-aminopent-1-enyl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(/C=C/CCCN)ccc21.
What is the InChIKey of 6-[(E)-5-aminopent-1-enyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is KDLMRZWQNQGPPS-HWKANZROSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17-14-8-6-12(5-3-2-4-10-16)11-13(14)7-9-15(17)18/h3,5-6,8,11H,2,4,7,9-10,16H2,1H3/b5-3+.
What are the key properties of 6-[(E)-5-aminopent-1-enyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[(E)-5-aminopent-1-enyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-5-aminopent-1-enyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 82294405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).