5-methoxy-3,9-dimethyl-2-[(1Z)-penta-1,4-dienyl]-1-oxa-9-azaspiro[5.5]undec-2-ene

C17H27NO2 — CID 130371182

IUPAC5-methoxy-3,9-dimethyl-2-[(1Z)-penta-1,4-dienyl]-1-oxa-9-azaspiro[5.5]undec-2-ene
SMILESC=CC/C=C\C1=C(C)CC(OC)C2(CCN(C)CC2)O1
InChIInChI=1S/C17H27NO2/c1-5-6-7-8-15-14(2)13-16(19-4)17(20-15)9-11-18(3)12-10-17/h5,7-8,16H,1,6,9-13H2,2-4H3/b8-7-
InChIKeyMQZVUGMUFWAXLX-FPLPWBNLSA-N
MW277.41 g/mol
LogP3.29
Rot. Bonds4

About 5-methoxy-3,9-dimethyl-2-[(1Z)-penta-1,4-dienyl]-1-oxa-9-azaspiro[5.5]undec-2-ene

5-methoxy-3,9-dimethyl-2-[(1Z)-penta-1,4-dienyl]-1-oxa-9-azaspiro[5.5]undec-2-ene (PubChem CID 130371182) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-methoxy-3,9-dimethyl-2-[(1Z)-penta-1,4-dienyl]-1-oxa-9-azaspiro[5.5]undec-2-ene.

Molecular Properties

Compound Name5-methoxy-3,9-dimethyl-2-[(1Z)-penta-1,4-dienyl]-1-oxa-9-azaspiro[5.5]undec-2-ene
PubChem CID130371182
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name5-methoxy-3,9-dimethyl-2-[(1Z)-penta-1,4-dienyl]-1-oxa-9-azaspiro[5.5]undec-2-ene
SMILESC=CC/C=C\C1=C(C)CC(OC)C2(CCN(C)CC2)O1
InChIInChI=1S/C17H27NO2/c1-5-6-7-8-15-14(2)13-16(19-4)17(20-15)9-11-18(3)12-10-17/h5,7-8,16H,1,6,9-13H2,2-4H3/b8-7-
InChIKeyMQZVUGMUFWAXLX-FPLPWBNLSA-N
XLogP3.29
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-methoxy-3,9-dimethyl-2-[(1Z)-penta-1,4-dienyl]-1-oxa-9-azaspiro[5.5]undec-2-ene?
The IUPAC name of 5-methoxy-3,9-dimethyl-2-[(1Z)-penta-1,4-dienyl]-1-oxa-9-azaspiro[5.5]undec-2-ene (CID 130371182) is 5-methoxy-3,9-dimethyl-2-[(1Z)-penta-1,4-dienyl]-1-oxa-9-azaspiro[5.5]undec-2-ene.
What is the SMILES notation for 5-methoxy-3,9-dimethyl-2-[(1Z)-penta-1,4-dienyl]-1-oxa-9-azaspiro[5.5]undec-2-ene?
The canonical SMILES for 5-methoxy-3,9-dimethyl-2-[(1Z)-penta-1,4-dienyl]-1-oxa-9-azaspiro[5.5]undec-2-ene is C=CC/C=C\C1=C(C)CC(OC)C2(CCN(C)CC2)O1.
What is the InChIKey of 5-methoxy-3,9-dimethyl-2-[(1Z)-penta-1,4-dienyl]-1-oxa-9-azaspiro[5.5]undec-2-ene?
The InChIKey is MQZVUGMUFWAXLX-FPLPWBNLSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-6-7-8-15-14(2)13-16(19-4)17(20-15)9-11-18(3)12-10-17/h5,7-8,16H,1,6,9-13H2,2-4H3/b8-7-.
What are the key properties of 5-methoxy-3,9-dimethyl-2-[(1Z)-penta-1,4-dienyl]-1-oxa-9-azaspiro[5.5]undec-2-ene?
5-methoxy-3,9-dimethyl-2-[(1Z)-penta-1,4-dienyl]-1-oxa-9-azaspiro[5.5]undec-2-ene has a molecular weight of 277.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,9-dimethyl-2-[(1Z)-penta-1,4-dienyl]-1-oxa-9-azaspiro[5.5]undec-2-ene is sourced from PubChem (CID 130371182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).