ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidene-2,3-dihydropyridine

C14H25N — CID 143030943

IUPACethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidene-2,3-dihydropyridine
SMILESC=C/C=C1/CCN=C/C1=C/C.CC.CC
InChIInChI=1S/C10H13N.2C2H6/c1-3-5-10-6-7-11-8-9(10)4-2;2*1-2/h3-5,8H,1,6-7H2,2H3;2*1-2H3/b9-4-,10-5-;;
InChIKeyYSPITMYDFWVTRI-QHVNCQGVSA-N
MW207.36 g/mol
LogP4.57
Rot. Bonds1

About ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidene-2,3-dihydropyridine

ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidene-2,3-dihydropyridine (PubChem CID 143030943) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidene-2,3-dihydropyridine.

Molecular Properties

Compound Nameethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidene-2,3-dihydropyridine
PubChem CID143030943
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Nameethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidene-2,3-dihydropyridine
SMILESC=C/C=C1/CCN=C/C1=C/C.CC.CC
InChIInChI=1S/C10H13N.2C2H6/c1-3-5-10-6-7-11-8-9(10)4-2;2*1-2/h3-5,8H,1,6-7H2,2H3;2*1-2H3/b9-4-,10-5-;;
InChIKeyYSPITMYDFWVTRI-QHVNCQGVSA-N
XLogP4.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidene-2,3-dihydropyridine?
The IUPAC name of ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidene-2,3-dihydropyridine (CID 143030943) is ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidene-2,3-dihydropyridine.
What is the SMILES notation for ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidene-2,3-dihydropyridine?
The canonical SMILES for ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidene-2,3-dihydropyridine is C=C/C=C1/CCN=C/C1=C/C.CC.CC.
What is the InChIKey of ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidene-2,3-dihydropyridine?
The InChIKey is YSPITMYDFWVTRI-QHVNCQGVSA-N. The full InChI is InChI=1S/C10H13N.2C2H6/c1-3-5-10-6-7-11-8-9(10)4-2;2*1-2/h3-5,8H,1,6-7H2,2H3;2*1-2H3/b9-4-,10-5-;;.
What are the key properties of ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidene-2,3-dihydropyridine?
ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidene-2,3-dihydropyridine has a molecular weight of 207.36 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidene-2,3-dihydropyridine is sourced from PubChem (CID 143030943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).