1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-1-one

C11H19NO — CID 15598809

IUPAC1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-1-one
SMILESCCCCC(=O)C1=CCCN(C)C1
InChIInChI=1S/C11H19NO/c1-3-4-7-11(13)10-6-5-8-12(2)9-10/h6H,3-5,7-9H2,1-2H3
InChIKeyDRRLNTHNTQCASL-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.01
Rot. Bonds4

About 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-1-one

1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-1-one (PubChem CID 15598809) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-1-one.

Molecular Properties

Compound Name1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-1-one
PubChem CID15598809
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-1-one
SMILESCCCCC(=O)C1=CCCN(C)C1
InChIInChI=1S/C11H19NO/c1-3-4-7-11(13)10-6-5-8-12(2)9-10/h6H,3-5,7-9H2,1-2H3
InChIKeyDRRLNTHNTQCASL-UHFFFAOYSA-N
XLogP2.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-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-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-1-one?
The IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-1-one (CID 15598809) is 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-1-one.
What is the SMILES notation for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-1-one?
The canonical SMILES for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-1-one is CCCCC(=O)C1=CCCN(C)C1.
What is the InChIKey of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-1-one?
The InChIKey is DRRLNTHNTQCASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-4-7-11(13)10-6-5-8-12(2)9-10/h6H,3-5,7-9H2,1-2H3.
What are the key properties of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-1-one?
1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-1-one has a molecular weight of 181.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-1-one is sourced from PubChem (CID 15598809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).