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

C15H23NO — CID 174075705

IUPAC(3E)-4-[(Z)-but-2-enylidene]-3-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decane
SMILESC/C=C\C=C1/C(=C\C)OCC12CCN(C)CC2
InChIInChI=1S/C15H23NO/c1-4-6-7-13-14(5-2)17-12-15(13)8-10-16(3)11-9-15/h4-7H,8-12H2,1-3H3/b6-4-,13-7?,14-5+
InChIKeyTYJYDJYMNXJVDC-CYJRXCFASA-N
MW233.36 g/mol
LogP3.13
Rot. Bonds1

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

(3E)-4-[(Z)-but-2-enylidene]-3-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decane (PubChem CID 174075705) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (3E)-4-[(Z)-but-2-enylidene]-3-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3E)-4-[(Z)-but-2-enylidene]-3-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decane
PubChem CID174075705
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(3E)-4-[(Z)-but-2-enylidene]-3-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decane
SMILESC/C=C\C=C1/C(=C\C)OCC12CCN(C)CC2
InChIInChI=1S/C15H23NO/c1-4-6-7-13-14(5-2)17-12-15(13)8-10-16(3)11-9-15/h4-7H,8-12H2,1-3H3/b6-4-,13-7?,14-5+
InChIKeyTYJYDJYMNXJVDC-CYJRXCFASA-N
XLogP3.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-[(Z)-but-2-enylidene]-3-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3E)-4-[(Z)-but-2-enylidene]-3-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decane (CID 174075705) is (3E)-4-[(Z)-but-2-enylidene]-3-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3E)-4-[(Z)-but-2-enylidene]-3-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3E)-4-[(Z)-but-2-enylidene]-3-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decane is C/C=C\C=C1/C(=C\C)OCC12CCN(C)CC2.
What is the InChIKey of (3E)-4-[(Z)-but-2-enylidene]-3-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is TYJYDJYMNXJVDC-CYJRXCFASA-N. The full InChI is InChI=1S/C15H23NO/c1-4-6-7-13-14(5-2)17-12-15(13)8-10-16(3)11-9-15/h4-7H,8-12H2,1-3H3/b6-4-,13-7?,14-5+.
What are the key properties of (3E)-4-[(Z)-but-2-enylidene]-3-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decane?
(3E)-4-[(Z)-but-2-enylidene]-3-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 233.36 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-[(Z)-but-2-enylidene]-3-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 174075705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).