2,6-dimethylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine

C13H21NO — CID 163656571

IUPAC2,6-dimethylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine
SMILESC=C1CN2CC(=C)CC2(COC(C)C)C1
InChIInChI=1S/C13H21NO/c1-10(2)15-9-13-5-11(3)7-14(13)8-12(4)6-13/h10H,3-9H2,1-2H3
InChIKeyCRQRYGVJVZRDRF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.37
Rot. Bonds3

About 2,6-dimethylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine

2,6-dimethylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine (PubChem CID 163656571) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2,6-dimethylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine.

Molecular Properties

Compound Name2,6-dimethylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine
PubChem CID163656571
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2,6-dimethylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine
SMILESC=C1CN2CC(=C)CC2(COC(C)C)C1
InChIInChI=1S/C13H21NO/c1-10(2)15-9-13-5-11(3)7-14(13)8-12(4)6-13/h10H,3-9H2,1-2H3
InChIKeyCRQRYGVJVZRDRF-UHFFFAOYSA-N
XLogP2.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine?
The IUPAC name of 2,6-dimethylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine (CID 163656571) is 2,6-dimethylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine.
What is the SMILES notation for 2,6-dimethylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine?
The canonical SMILES for 2,6-dimethylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine is C=C1CN2CC(=C)CC2(COC(C)C)C1.
What is the InChIKey of 2,6-dimethylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine?
The InChIKey is CRQRYGVJVZRDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)15-9-13-5-11(3)7-14(13)8-12(4)6-13/h10H,3-9H2,1-2H3.
What are the key properties of 2,6-dimethylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine?
2,6-dimethylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine has a molecular weight of 207.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine is sourced from PubChem (CID 163656571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).