3-methyl-9-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene

C14H19N3O — CID 134787361

IUPAC3-methyl-9-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
SMILESCC1=NOC2(CCCN(Cc3ccccn3)C2)C1
InChIInChI=1S/C14H19N3O/c1-12-9-14(18-16-12)6-4-8-17(11-14)10-13-5-2-3-7-15-13/h2-3,5,7H,4,6,8-11H2,1H3
InChIKeyONUZRZJYXLPUQV-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.21
Rot. Bonds2

About 3-methyl-9-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene

3-methyl-9-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene (PubChem CID 134787361) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-methyl-9-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-methyl-9-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
PubChem CID134787361
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-methyl-9-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
SMILESCC1=NOC2(CCCN(Cc3ccccn3)C2)C1
InChIInChI=1S/C14H19N3O/c1-12-9-14(18-16-12)6-4-8-17(11-14)10-13-5-2-3-7-15-13/h2-3,5,7H,4,6,8-11H2,1H3
InChIKeyONUZRZJYXLPUQV-UHFFFAOYSA-N
XLogP2.21
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-methyl-9-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene (CID 134787361) is 3-methyl-9-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-methyl-9-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-methyl-9-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene is CC1=NOC2(CCCN(Cc3ccccn3)C2)C1.
What is the InChIKey of 3-methyl-9-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The InChIKey is ONUZRZJYXLPUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-12-9-14(18-16-12)6-4-8-17(11-14)10-13-5-2-3-7-15-13/h2-3,5,7H,4,6,8-11H2,1H3.
What are the key properties of 3-methyl-9-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
3-methyl-9-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene has a molecular weight of 245.33 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134787361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).