1-(propylamino)hex-5-en-2-one

C9H17NO — CID 116562762

IUPAC1-(propylamino)hex-5-en-2-one
SMILESC=CCCC(=O)CNCCC
InChIInChI=1S/C9H17NO/c1-3-5-6-9(11)8-10-7-4-2/h3,10H,1,4-8H2,2H3
InChIKeyGAQARTDPIRBJEQ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.52
Rot. Bonds7

About 1-(propylamino)hex-5-en-2-one

1-(propylamino)hex-5-en-2-one (PubChem CID 116562762) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(propylamino)hex-5-en-2-one.

Molecular Properties

Compound Name1-(propylamino)hex-5-en-2-one
PubChem CID116562762
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(propylamino)hex-5-en-2-one
SMILESC=CCCC(=O)CNCCC
InChIInChI=1S/C9H17NO/c1-3-5-6-9(11)8-10-7-4-2/h3,10H,1,4-8H2,2H3
InChIKeyGAQARTDPIRBJEQ-UHFFFAOYSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(propylamino)hex-5-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)hex-5-en-2-one?
The IUPAC name of 1-(propylamino)hex-5-en-2-one (CID 116562762) is 1-(propylamino)hex-5-en-2-one.
What is the SMILES notation for 1-(propylamino)hex-5-en-2-one?
The canonical SMILES for 1-(propylamino)hex-5-en-2-one is C=CCCC(=O)CNCCC.
What is the InChIKey of 1-(propylamino)hex-5-en-2-one?
The InChIKey is GAQARTDPIRBJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-5-6-9(11)8-10-7-4-2/h3,10H,1,4-8H2,2H3.
What are the key properties of 1-(propylamino)hex-5-en-2-one?
1-(propylamino)hex-5-en-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)hex-5-en-2-one is sourced from PubChem (CID 116562762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).