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

C16H27NO — CID 143423152

IUPAC(3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane;ethane
SMILESC/C=C\C=C1\COC2(CCNCC2)\C1=C\C.CC
InChIInChI=1S/C14H21NO.C2H6/c1-3-5-6-12-11-16-14(13(12)4-2)7-9-15-10-8-14;1-2/h3-6,15H,7-11H2,1-2H3;1-2H3/b5-3-,12-6-,13-4+;
InChIKeyQJPNKIOCVRCQKK-DGVFSXBRSA-N
MW249.40 g/mol
LogP3.61
Rot. Bonds1

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

(3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane;ethane (PubChem CID 143423152) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane;ethane.

Molecular Properties

Compound Name(3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane;ethane
PubChem CID143423152
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane;ethane
SMILESC/C=C\C=C1\COC2(CCNCC2)\C1=C\C.CC
InChIInChI=1S/C14H21NO.C2H6/c1-3-5-6-12-11-16-14(13(12)4-2)7-9-15-10-8-14;1-2/h3-6,15H,7-11H2,1-2H3;1-2H3/b5-3-,12-6-,13-4+;
InChIKeyQJPNKIOCVRCQKK-DGVFSXBRSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.61
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;ethane?
The IUPAC name of (3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane;ethane (CID 143423152) is (3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane;ethane.
What is the SMILES notation for (3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane;ethane?
The canonical SMILES for (3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane;ethane is C/C=C\C=C1\COC2(CCNCC2)\C1=C\C.CC.
What is the InChIKey of (3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane;ethane?
The InChIKey is QJPNKIOCVRCQKK-DGVFSXBRSA-N. The full InChI is InChI=1S/C14H21NO.C2H6/c1-3-5-6-12-11-16-14(13(12)4-2)7-9-15-10-8-14;1-2/h3-6,15H,7-11H2,1-2H3;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;ethane?
(3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane;ethane has a molecular weight of 249.40 g/mol, XLogP of 3.61, 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;ethane is sourced from PubChem (CID 143423152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).