1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one

C9H15NO — CID 579185

IUPAC1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one
SMILESCCCC(=O)N1CC=CCC1
InChIInChI=1S/C9H15NO/c1-2-6-9(11)10-7-4-3-5-8-10/h3-4H,2,5-8H2,1H3
InChIKeyWDCQRYZVFWSXFI-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.58
Rot. Bonds2

About 1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one

1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one (PubChem CID 579185) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one
PubChem CID579185
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one
SMILESCCCC(=O)N1CC=CCC1
InChIInChI=1S/C9H15NO/c1-2-6-9(11)10-7-4-3-5-8-10/h3-4H,2,5-8H2,1H3
InChIKeyWDCQRYZVFWSXFI-UHFFFAOYSA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-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-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The IUPAC name of 1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one (CID 579185) is 1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The canonical SMILES for 1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one is CCCC(=O)N1CC=CCC1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The InChIKey is WDCQRYZVFWSXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-6-9(11)10-7-4-3-5-8-10/h3-4H,2,5-8H2,1H3.
What are the key properties of 1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one is sourced from PubChem (CID 579185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).