butane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine

C14H21N — CID 142140525

IUPACbutane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine
SMILESC=C/C=c1/cncc/c1=C/C.CCCC
InChIInChI=1S/C10H11N.C4H10/c1-3-5-10-8-11-7-6-9(10)4-2;1-3-4-2/h3-8H,1H2,2H3;3-4H2,1-2H3/b9-4-,10-5-;
InChIKeyYQZANIXXULGFIO-DRWVTRDWSA-N
MW203.33 g/mol
LogP2.65
Rot. Bonds2

About butane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine

butane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine (PubChem CID 142140525) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is butane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine.

Molecular Properties

Compound Namebutane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine
PubChem CID142140525
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Namebutane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine
SMILESC=C/C=c1/cncc/c1=C/C.CCCC
InChIInChI=1S/C10H11N.C4H10/c1-3-5-10-8-11-7-6-9(10)4-2;1-3-4-2/h3-8H,1H2,2H3;3-4H2,1-2H3/b9-4-,10-5-;
InChIKeyYQZANIXXULGFIO-DRWVTRDWSA-N
XLogP2.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine
CID 126516076
(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine
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6-[(Z)-3-fluoro-2-methylprop-1-enyl]-5-methyl-4H-azepine
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(4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 143759855
(Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 145480550
(4E)-4-[(3Z,5Z)-7-fluoro-3-methyl-2-methylidenehepta-3,5-dienylidene]-3H-pyridine
CID 156341896
(E,2Z)-2-ethylidene-N-[(Z)-1-fluoro-2-methylbut-1-enyl]-3-methylhept-3-en-1-imine
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Frequently Asked Questions

What is the IUPAC name of butane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine?
The IUPAC name of butane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine (CID 142140525) is butane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine.
What is the SMILES notation for butane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine?
The canonical SMILES for butane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine is C=C/C=c1/cncc/c1=C/C.CCCC.
What is the InChIKey of butane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine?
The InChIKey is YQZANIXXULGFIO-DRWVTRDWSA-N. The full InChI is InChI=1S/C10H11N.C4H10/c1-3-5-10-8-11-7-6-9(10)4-2;1-3-4-2/h3-8H,1H2,2H3;3-4H2,1-2H3/b9-4-,10-5-;.
What are the key properties of butane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine?
butane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine has a molecular weight of 203.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine is sourced from PubChem (CID 142140525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).