(3Z,4Z)-3,4-di(ethylidene)-8-azaspiro[4.5]dec-1-ene

C13H19N — CID 89122688

IUPAC(3Z,4Z)-3,4-di(ethylidene)-8-azaspiro[4.5]dec-1-ene
SMILESC/C=C1/C=CC2(CCNCC2)/C1=C/C
InChIInChI=1S/C13H19N/c1-3-11-5-6-13(12(11)4-2)7-9-14-10-8-13/h3-6,14H,7-10H2,1-2H3/b11-3-,12-4+
InChIKeyLHCKWMXCABXWKQ-XPWJWFAVSA-N
MW189.30 g/mol
LogP2.82
Rot. Bonds

About (3Z,4Z)-3,4-di(ethylidene)-8-azaspiro[4.5]dec-1-ene

(3Z,4Z)-3,4-di(ethylidene)-8-azaspiro[4.5]dec-1-ene (PubChem CID 89122688) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (3Z,4Z)-3,4-di(ethylidene)-8-azaspiro[4.5]dec-1-ene.

Molecular Properties

Compound Name(3Z,4Z)-3,4-di(ethylidene)-8-azaspiro[4.5]dec-1-ene
PubChem CID89122688
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(3Z,4Z)-3,4-di(ethylidene)-8-azaspiro[4.5]dec-1-ene
SMILESC/C=C1/C=CC2(CCNCC2)/C1=C/C
InChIInChI=1S/C13H19N/c1-3-11-5-6-13(12(11)4-2)7-9-14-10-8-13/h3-6,14H,7-10H2,1-2H3/b11-3-,12-4+
InChIKeyLHCKWMXCABXWKQ-XPWJWFAVSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z,4Z)-3,4-di(ethylidene)-8-azaspiro[4.5]dec-1-ene?
The IUPAC name of (3Z,4Z)-3,4-di(ethylidene)-8-azaspiro[4.5]dec-1-ene (CID 89122688) is (3Z,4Z)-3,4-di(ethylidene)-8-azaspiro[4.5]dec-1-ene.
What is the SMILES notation for (3Z,4Z)-3,4-di(ethylidene)-8-azaspiro[4.5]dec-1-ene?
The canonical SMILES for (3Z,4Z)-3,4-di(ethylidene)-8-azaspiro[4.5]dec-1-ene is C/C=C1/C=CC2(CCNCC2)/C1=C/C.
What is the InChIKey of (3Z,4Z)-3,4-di(ethylidene)-8-azaspiro[4.5]dec-1-ene?
The InChIKey is LHCKWMXCABXWKQ-XPWJWFAVSA-N. The full InChI is InChI=1S/C13H19N/c1-3-11-5-6-13(12(11)4-2)7-9-14-10-8-13/h3-6,14H,7-10H2,1-2H3/b11-3-,12-4+.
What are the key properties of (3Z,4Z)-3,4-di(ethylidene)-8-azaspiro[4.5]dec-1-ene?
(3Z,4Z)-3,4-di(ethylidene)-8-azaspiro[4.5]dec-1-ene has a molecular weight of 189.30 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-3,4-di(ethylidene)-8-azaspiro[4.5]dec-1-ene is sourced from PubChem (CID 89122688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).