8-[(4-chlorophenyl)methyl]-3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C19H20ClN3O — CID 118740433

IUPAC8-[(4-chlorophenyl)methyl]-3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESClc1ccc(CN2CCC3(CC2)CC(c2cccnc2)=NO3)cc1
InChIInChI=1S/C19H20ClN3O/c20-17-5-3-15(4-6-17)14-23-10-7-19(8-11-23)12-18(22-24-19)16-2-1-9-21-13-16/h1-6,9,13H,7-8,10-12,14H2
InChIKeySBLPMLWLPDENIK-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.89
Rot. Bonds3

About 8-[(4-chlorophenyl)methyl]-3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

8-[(4-chlorophenyl)methyl]-3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 118740433) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 8-[(4-chlorophenyl)methyl]-3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8-[(4-chlorophenyl)methyl]-3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID118740433
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name8-[(4-chlorophenyl)methyl]-3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESClc1ccc(CN2CCC3(CC2)CC(c2cccnc2)=NO3)cc1
InChIInChI=1S/C19H20ClN3O/c20-17-5-3-15(4-6-17)14-23-10-7-19(8-11-23)12-18(22-24-19)16-2-1-9-21-13-16/h1-6,9,13H,7-8,10-12,14H2
InChIKeySBLPMLWLPDENIK-UHFFFAOYSA-N
XLogP3.89
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-chlorophenyl)methyl]-3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 8-[(4-chlorophenyl)methyl]-3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 118740433) is 8-[(4-chlorophenyl)methyl]-3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8-[(4-chlorophenyl)methyl]-3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 8-[(4-chlorophenyl)methyl]-3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is Clc1ccc(CN2CCC3(CC2)CC(c2cccnc2)=NO3)cc1.
What is the InChIKey of 8-[(4-chlorophenyl)methyl]-3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is SBLPMLWLPDENIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c20-17-5-3-15(4-6-17)14-23-10-7-19(8-11-23)12-18(22-24-19)16-2-1-9-21-13-16/h1-6,9,13H,7-8,10-12,14H2.
What are the key properties of 8-[(4-chlorophenyl)methyl]-3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
8-[(4-chlorophenyl)methyl]-3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 341.84 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorophenyl)methyl]-3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 118740433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).