(6Z)-6-ethylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

C13H23NO — CID 163656572

IUPAC(6Z)-6-ethylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC/C=C1\CN2CCCC2(COC(C)C)C1
InChIInChI=1S/C13H23NO/c1-4-12-8-13(10-15-11(2)3)6-5-7-14(13)9-12/h4,11H,5-10H2,1-3H3/b12-4-
InChIKeyXAZBTJONSNEMBA-QCDXTXTGSA-N
MW209.33 g/mol
LogP2.60
Rot. Bonds3

About (6Z)-6-ethylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

(6Z)-6-ethylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 163656572) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (6Z)-6-ethylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(6Z)-6-ethylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID163656572
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(6Z)-6-ethylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC/C=C1\CN2CCCC2(COC(C)C)C1
InChIInChI=1S/C13H23NO/c1-4-12-8-13(10-15-11(2)3)6-5-7-14(13)9-12/h4,11H,5-10H2,1-3H3/b12-4-
InChIKeyXAZBTJONSNEMBA-QCDXTXTGSA-N
XLogP2.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.60
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 (6Z)-6-ethylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (6Z)-6-ethylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 163656572) is (6Z)-6-ethylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (6Z)-6-ethylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (6Z)-6-ethylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is C/C=C1\CN2CCCC2(COC(C)C)C1.
What is the InChIKey of (6Z)-6-ethylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is XAZBTJONSNEMBA-QCDXTXTGSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-12-8-13(10-15-11(2)3)6-5-7-14(13)9-12/h4,11H,5-10H2,1-3H3/b12-4-.
What are the key properties of (6Z)-6-ethylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
(6Z)-6-ethylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 209.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-ethylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 163656572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).