(3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane

C14H21NO — CID 143423153

IUPAC(3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane
SMILESC/C=C\C=C1\COC2(CCNCC2)\C1=C\C
InChIInChI=1S/C14H21NO/c1-3-5-6-12-11-16-14(13(12)4-2)7-9-15-10-8-14/h3-6,15H,7-11H2,1-2H3/b5-3-,12-6-,13-4+
InChIKeyKEUHSYMSNCIRLE-SVVWHRPHSA-N
MW219.33 g/mol
LogP2.59
Rot. Bonds1

About (3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane

(3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane (PubChem CID 143423153) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane
PubChem CID143423153
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane
SMILESC/C=C\C=C1\COC2(CCNCC2)\C1=C\C
InChIInChI=1S/C14H21NO/c1-3-5-6-12-11-16-14(13(12)4-2)7-9-15-10-8-14/h3-6,15H,7-11H2,1-2H3/b5-3-,12-6-,13-4+
InChIKeyKEUHSYMSNCIRLE-SVVWHRPHSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane (CID 143423153) is (3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane is C/C=C\C=C1\COC2(CCNCC2)\C1=C\C.
What is the InChIKey of (3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is KEUHSYMSNCIRLE-SVVWHRPHSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-5-6-12-11-16-14(13(12)4-2)7-9-15-10-8-14/h3-6,15H,7-11H2,1-2H3/b5-3-,12-6-,13-4+.
What are the key properties of (3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane?
(3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 219.33 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 143423153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).