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

C17H21N3O — CID 15176150

IUPAC8-methyl-2-(1-methylindol-3-yl)-1-oxa-3,8-diazaspiro[4.5]dec-2-ene
SMILESCN1CCC2(CC1)CN=C(c1cn(C)c3ccccc13)O2
InChIInChI=1S/C17H21N3O/c1-19-9-7-17(8-10-19)12-18-16(21-17)14-11-20(2)15-6-4-3-5-13(14)15/h3-6,11H,7-10,12H2,1-2H3
InChIKeyIEAMQDHBXLORKB-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.42
Rot. Bonds1

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

8-methyl-2-(1-methylindol-3-yl)-1-oxa-3,8-diazaspiro[4.5]dec-2-ene (PubChem CID 15176150) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 8-methyl-2-(1-methylindol-3-yl)-1-oxa-3,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8-methyl-2-(1-methylindol-3-yl)-1-oxa-3,8-diazaspiro[4.5]dec-2-ene
PubChem CID15176150
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name8-methyl-2-(1-methylindol-3-yl)-1-oxa-3,8-diazaspiro[4.5]dec-2-ene
SMILESCN1CCC2(CC1)CN=C(c1cn(C)c3ccccc13)O2
InChIInChI=1S/C17H21N3O/c1-19-9-7-17(8-10-19)12-18-16(21-17)14-11-20(2)15-6-4-3-5-13(14)15/h3-6,11H,7-10,12H2,1-2H3
InChIKeyIEAMQDHBXLORKB-UHFFFAOYSA-N
XLogP2.42
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(1-methylindol-3-yl)-1-oxa-3,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 8-methyl-2-(1-methylindol-3-yl)-1-oxa-3,8-diazaspiro[4.5]dec-2-ene (CID 15176150) is 8-methyl-2-(1-methylindol-3-yl)-1-oxa-3,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8-methyl-2-(1-methylindol-3-yl)-1-oxa-3,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 8-methyl-2-(1-methylindol-3-yl)-1-oxa-3,8-diazaspiro[4.5]dec-2-ene is CN1CCC2(CC1)CN=C(c1cn(C)c3ccccc13)O2.
What is the InChIKey of 8-methyl-2-(1-methylindol-3-yl)-1-oxa-3,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is IEAMQDHBXLORKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-19-9-7-17(8-10-19)12-18-16(21-17)14-11-20(2)15-6-4-3-5-13(14)15/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 8-methyl-2-(1-methylindol-3-yl)-1-oxa-3,8-diazaspiro[4.5]dec-2-ene?
8-methyl-2-(1-methylindol-3-yl)-1-oxa-3,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 283.38 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(1-methylindol-3-yl)-1-oxa-3,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 15176150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).