3-(chloromethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C13H18ClNO2 — CID 82522757

IUPAC3-(chloromethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCOCCCn1c2c(cc(CCl)c1=O)CCC2
InChIInChI=1S/C13H18ClNO2/c1-17-7-3-6-15-12-5-2-4-10(12)8-11(9-14)13(15)16/h8H,2-7,9H2,1H3
InChIKeyOMKLFOCFGROOJI-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.11
Rot. Bonds5

About 3-(chloromethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

3-(chloromethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 82522757) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 3-(chloromethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-(chloromethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID82522757
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name3-(chloromethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCOCCCn1c2c(cc(CCl)c1=O)CCC2
InChIInChI=1S/C13H18ClNO2/c1-17-7-3-6-15-12-5-2-4-10(12)8-11(9-14)13(15)16/h8H,2-7,9H2,1H3
InChIKeyOMKLFOCFGROOJI-UHFFFAOYSA-N
XLogP2.11
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-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

Related Compounds

3-(chloromethyl)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522536
1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 82522193
3-(1-aminoethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522744
3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522751
1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one
CID 13169244
3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521754
1-(2-methoxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 82522799
1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522314
1-(2-methoxyethyl)-3-(piperazine-1-carbonyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522794
1-methyl-3-(sulfanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523341
3-(aminomethyl)-1-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one
CID 82189202
3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82526375

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 3-(chloromethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 82522757) is 3-(chloromethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-(chloromethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-(chloromethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is COCCCn1c2c(cc(CCl)c1=O)CCC2.
What is the InChIKey of 3-(chloromethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is OMKLFOCFGROOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-17-7-3-6-15-12-5-2-4-10(12)8-11(9-14)13(15)16/h8H,2-7,9H2,1H3.
What are the key properties of 3-(chloromethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
3-(chloromethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 255.74 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 82522757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).