2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C15H16ClNO3 — CID 67306630

IUPAC2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESO=C(CCl)N1CC=C(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C15H16ClNO3/c16-10-15(18)17-5-3-11(4-6-17)12-1-2-13-14(9-12)20-8-7-19-13/h1-3,9H,4-8,10H2
InChIKeyOBZYNIZBHXRJFE-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.31
Rot. Bonds2

About 2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 67306630) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID67306630
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESO=C(CCl)N1CC=C(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C15H16ClNO3/c16-10-15(18)17-5-3-11(4-6-17)12-1-2-13-14(9-12)20-8-7-19-13/h1-3,9H,4-8,10H2
InChIKeyOBZYNIZBHXRJFE-UHFFFAOYSA-N
XLogP2.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 18106499
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylcyclobutyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 127726775
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 154873684
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8759575
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 18125075
(E)-3-(1,3-benzodioxol-5-yl)-1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
CID 44759564
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 8559384
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 50959855
2-chloro-1-[4-(2,3-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 165486572
5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-1H-pyridazin-6-one
CID 138038486
(E)-3-(1,3-benzodioxol-5-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-2-en-1-one
CID 2551846
1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 142929013

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 67306630) is 2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is O=C(CCl)N1CC=C(c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is OBZYNIZBHXRJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c16-10-15(18)17-5-3-11(4-6-17)12-1-2-13-14(9-12)20-8-7-19-13/h1-3,9H,4-8,10H2.
What are the key properties of 2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 293.75 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 67306630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).