6-propan-2-yl-5,7-diazaspiro[3.4]oct-6-ene;6-propan-2-yl-7-oxa-5-azaspiro[3.4]oct-5-ene;5-propan-2-yl-6-thia-4-azaspiro[2.4]hept-4-ene;6-propan-2-yl-7-thia-5-azaspiro[3.4]oct-5-ene

C35H59N5OS2 — CID 159503612

IUPAC6-propan-2-yl-5,7-diazaspiro[3.4]oct-6-ene;6-propan-2-yl-7-oxa-5-azaspiro[3.4]oct-5-ene;5-propan-2-yl-6-thia-4-azaspiro[2.4]hept-4-ene;6-propan-2-yl-7-thia-5-azaspiro[3.4]oct-5-ene
SMILESCC(C)C1=NC2(CC2)CS1.CC(C)C1=NC2(CCC2)CO1.CC(C)C1=NC2(CCC2)CS1.CC(C)C1=NCC2(CCC2)N1
InChIInChI=1S/C9H16N2.C9H15NO.C9H15NS.C8H13NS/c1-7(2)8-10-6-9(11-8)4-3-5-9;2*1-7(2)8-10-9(6-11-8)4-3-5-9;1-6(2)7-9-8(3-4-8)5-10-7/h7H,3-6H2,1-2H3,(H,10,11);2*7H,3-6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyLZRWWEWOVXJSDW-UHFFFAOYSA-N
MW630.03 g/mol
LogP8.59
Rot. Bonds4

About 6-propan-2-yl-5,7-diazaspiro[3.4]oct-6-ene;6-propan-2-yl-7-oxa-5-azaspiro[3.4]oct-5-ene;5-propan-2-yl-6-thia-4-azaspiro[2.4]hept-4-ene;6-propan-2-yl-7-thia-5-azaspiro[3.4]oct-5-ene

6-propan-2-yl-5,7-diazaspiro[3.4]oct-6-ene;6-propan-2-yl-7-oxa-5-azaspiro[3.4]oct-5-ene;5-propan-2-yl-6-thia-4-azaspiro[2.4]hept-4-ene;6-propan-2-yl-7-thia-5-azaspiro[3.4]oct-5-ene (PubChem CID 159503612) has the molecular formula C35H59N5OS2 and a molecular weight of 630.03 g/mol. Its IUPAC name is 6-propan-2-yl-5,7-diazaspiro[3.4]oct-6-ene;6-propan-2-yl-7-oxa-5-azaspiro[3.4]oct-5-ene;5-propan-2-yl-6-thia-4-azaspiro[2.4]hept-4-ene;6-propan-2-yl-7-thia-5-azaspiro[3.4]oct-5-ene.

Molecular Properties

Compound Name6-propan-2-yl-5,7-diazaspiro[3.4]oct-6-ene;6-propan-2-yl-7-oxa-5-azaspiro[3.4]oct-5-ene;5-propan-2-yl-6-thia-4-azaspiro[2.4]hept-4-ene;6-propan-2-yl-7-thia-5-azaspiro[3.4]oct-5-ene
PubChem CID159503612
Molecular FormulaC35H59N5OS2
Molecular Weight630.03 g/mol
Exact Mass629.42
IUPAC Name6-propan-2-yl-5,7-diazaspiro[3.4]oct-6-ene;6-propan-2-yl-7-oxa-5-azaspiro[3.4]oct-5-ene;5-propan-2-yl-6-thia-4-azaspiro[2.4]hept-4-ene;6-propan-2-yl-7-thia-5-azaspiro[3.4]oct-5-ene
SMILESCC(C)C1=NC2(CC2)CS1.CC(C)C1=NC2(CCC2)CO1.CC(C)C1=NC2(CCC2)CS1.CC(C)C1=NCC2(CCC2)N1
InChIInChI=1S/C9H16N2.C9H15NO.C9H15NS.C8H13NS/c1-7(2)8-10-6-9(11-8)4-3-5-9;2*1-7(2)8-10-9(6-11-8)4-3-5-9;1-6(2)7-9-8(3-4-8)5-10-7/h7H,3-6H2,1-2H3,(H,10,11);2*7H,3-6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyLZRWWEWOVXJSDW-UHFFFAOYSA-N
XLogP8.59
TPSA70.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.03
LogP ≤ 58.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-propan-2-yl-5,7-diazaspiro[3.4]oct-6-ene;6-propan-2-yl-7-oxa-5-azaspiro[3.4]oct-5-ene;5-propan-2-yl-6-thia-4-azaspiro[2.4]hept-4-ene;6-propan-2-yl-7-thia-5-azaspiro[3.4]oct-5-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-5,7-diazaspiro[3.4]oct-6-ene;6-propan-2-yl-7-oxa-5-azaspiro[3.4]oct-5-ene;5-propan-2-yl-6-thia-4-azaspiro[2.4]hept-4-ene;6-propan-2-yl-7-thia-5-azaspiro[3.4]oct-5-ene?
The IUPAC name of 6-propan-2-yl-5,7-diazaspiro[3.4]oct-6-ene;6-propan-2-yl-7-oxa-5-azaspiro[3.4]oct-5-ene;5-propan-2-yl-6-thia-4-azaspiro[2.4]hept-4-ene;6-propan-2-yl-7-thia-5-azaspiro[3.4]oct-5-ene (CID 159503612) is 6-propan-2-yl-5,7-diazaspiro[3.4]oct-6-ene;6-propan-2-yl-7-oxa-5-azaspiro[3.4]oct-5-ene;5-propan-2-yl-6-thia-4-azaspiro[2.4]hept-4-ene;6-propan-2-yl-7-thia-5-azaspiro[3.4]oct-5-ene.
What is the SMILES notation for 6-propan-2-yl-5,7-diazaspiro[3.4]oct-6-ene;6-propan-2-yl-7-oxa-5-azaspiro[3.4]oct-5-ene;5-propan-2-yl-6-thia-4-azaspiro[2.4]hept-4-ene;6-propan-2-yl-7-thia-5-azaspiro[3.4]oct-5-ene?
The canonical SMILES for 6-propan-2-yl-5,7-diazaspiro[3.4]oct-6-ene;6-propan-2-yl-7-oxa-5-azaspiro[3.4]oct-5-ene;5-propan-2-yl-6-thia-4-azaspiro[2.4]hept-4-ene;6-propan-2-yl-7-thia-5-azaspiro[3.4]oct-5-ene is CC(C)C1=NC2(CC2)CS1.CC(C)C1=NC2(CCC2)CO1.CC(C)C1=NC2(CCC2)CS1.CC(C)C1=NCC2(CCC2)N1.
What is the InChIKey of 6-propan-2-yl-5,7-diazaspiro[3.4]oct-6-ene;6-propan-2-yl-7-oxa-5-azaspiro[3.4]oct-5-ene;5-propan-2-yl-6-thia-4-azaspiro[2.4]hept-4-ene;6-propan-2-yl-7-thia-5-azaspiro[3.4]oct-5-ene?
The InChIKey is LZRWWEWOVXJSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C9H15NO.C9H15NS.C8H13NS/c1-7(2)8-10-6-9(11-8)4-3-5-9;2*1-7(2)8-10-9(6-11-8)4-3-5-9;1-6(2)7-9-8(3-4-8)5-10-7/h7H,3-6H2,1-2H3,(H,10,11);2*7H,3-6H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of 6-propan-2-yl-5,7-diazaspiro[3.4]oct-6-ene;6-propan-2-yl-7-oxa-5-azaspiro[3.4]oct-5-ene;5-propan-2-yl-6-thia-4-azaspiro[2.4]hept-4-ene;6-propan-2-yl-7-thia-5-azaspiro[3.4]oct-5-ene?
6-propan-2-yl-5,7-diazaspiro[3.4]oct-6-ene;6-propan-2-yl-7-oxa-5-azaspiro[3.4]oct-5-ene;5-propan-2-yl-6-thia-4-azaspiro[2.4]hept-4-ene;6-propan-2-yl-7-thia-5-azaspiro[3.4]oct-5-ene has a molecular weight of 630.03 g/mol, XLogP of 8.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-5,7-diazaspiro[3.4]oct-6-ene;6-propan-2-yl-7-oxa-5-azaspiro[3.4]oct-5-ene;5-propan-2-yl-6-thia-4-azaspiro[2.4]hept-4-ene;6-propan-2-yl-7-thia-5-azaspiro[3.4]oct-5-ene is sourced from PubChem (CID 159503612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).