3-methyl-1-prop-1-en-2-yl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine

C15H25NO — CID 123488308

IUPAC3-methyl-1-prop-1-en-2-yl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine
SMILESC=C(C)OC1(C(=C)C)CC(C)N2CCCCC21
InChIInChI=1S/C15H25NO/c1-11(2)15(17-12(3)4)10-13(5)16-9-7-6-8-14(15)16/h13-14H,1,3,6-10H2,2,4-5H3
InChIKeyVNODWWRTFNVCKQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.50
Rot. Bonds3

About 3-methyl-1-prop-1-en-2-yl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine

3-methyl-1-prop-1-en-2-yl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine (PubChem CID 123488308) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-methyl-1-prop-1-en-2-yl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine.

Molecular Properties

Compound Name3-methyl-1-prop-1-en-2-yl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine
PubChem CID123488308
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-methyl-1-prop-1-en-2-yl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine
SMILESC=C(C)OC1(C(=C)C)CC(C)N2CCCCC21
InChIInChI=1S/C15H25NO/c1-11(2)15(17-12(3)4)10-13(5)16-9-7-6-8-14(15)16/h13-14H,1,3,6-10H2,2,4-5H3
InChIKeyVNODWWRTFNVCKQ-UHFFFAOYSA-N
XLogP3.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methyl-1-prop-1-en-2-yl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine with MolForge

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Launch Full Analysis

Related Compounds

1-Butan-2-yl-2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)piperidine
CID 123483242
1-butan-2-yl-3-methyl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine
CID 123619867
2-(3-Methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)-1-propan-2-ylpiperidine
CID 123663802
1-Ethoxy-1,3-dimethyl-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine
CID 123683182
1-prop-1-en-2-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 81886572

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-prop-1-en-2-yl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine?
The IUPAC name of 3-methyl-1-prop-1-en-2-yl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine (CID 123488308) is 3-methyl-1-prop-1-en-2-yl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine.
What is the SMILES notation for 3-methyl-1-prop-1-en-2-yl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine?
The canonical SMILES for 3-methyl-1-prop-1-en-2-yl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine is C=C(C)OC1(C(=C)C)CC(C)N2CCCCC21.
What is the InChIKey of 3-methyl-1-prop-1-en-2-yl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine?
The InChIKey is VNODWWRTFNVCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)15(17-12(3)4)10-13(5)16-9-7-6-8-14(15)16/h13-14H,1,3,6-10H2,2,4-5H3.
What are the key properties of 3-methyl-1-prop-1-en-2-yl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine?
3-methyl-1-prop-1-en-2-yl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine has a molecular weight of 235.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-prop-1-en-2-yl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine is sourced from PubChem (CID 123488308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).