ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde;methane

C14H21NO — CID 162444125

IUPACethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde;methane
SMILESC.C=C/C=c1/c(C=O)ncc/c1=C/C.CC
InChIInChI=1S/C11H11NO.C2H6.CH4/c1-3-5-10-9(4-2)6-7-12-11(10)8-13;1-2;/h3-8H,1H2,2H3;1-2H3;1H4/b9-4-,10-5+;;
InChIKeyZWVFHOQLLQZPLZ-ASQDCFOUSA-N
MW219.33 g/mol
LogP2.32
Rot. Bonds2

About ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde;methane

ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde;methane (PubChem CID 162444125) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde;methane.

Molecular Properties

Compound Nameethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde;methane
PubChem CID162444125
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nameethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde;methane
SMILESC.C=C/C=c1/c(C=O)ncc/c1=C/C.CC
InChIInChI=1S/C11H11NO.C2H6.CH4/c1-3-5-10-9(4-2)6-7-12-11(10)8-13;1-2;/h3-8H,1H2,2H3;1-2H3;1H4/b9-4-,10-5+;;
InChIKeyZWVFHOQLLQZPLZ-ASQDCFOUSA-N
XLogP2.32
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-(3-ethenylazet-2-yl)-2,6-dimethylhepta-3,5-dienal
CID 90069346
ethane;(2E,5Z)-3-ethenylimino-2-ethylidene-5-[(Z)-prop-1-enyl]octa-5,7-dienal
CID 141882455
(5Z)-6-methylimino-5-propylidenecyclohexa-1,3-diene-1-carbaldehyde
CID 142071750
(3E)-4-methylidene-3-prop-2-enylidenepyridine-2-carbaldehyde
CID 145424269
8aH-isoquinoline-1-carbaldehyde
CID 148095076
4,4a-Dihydroquinoline;propanal
CID 173239574
5H-indole-4-carbaldehyde
CID 174549053
9H-1-benzazepine-8-carbaldehyde
CID 175461320
(2E,5Z)-3-ethenylimino-2-ethylidene-5-[(Z)-prop-1-enyl]octa-5,7-dienal
CID 141882456
(3Z,5E)-5-ethylidene-8-methyl-6-methyliminonona-3,7-dienal
CID 142857928
(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde
CID 162444126

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde;methane?
The IUPAC name of ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde;methane (CID 162444125) is ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde;methane.
What is the SMILES notation for ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde;methane?
The canonical SMILES for ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde;methane is C.C=C/C=c1/c(C=O)ncc/c1=C/C.CC.
What is the InChIKey of ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde;methane?
The InChIKey is ZWVFHOQLLQZPLZ-ASQDCFOUSA-N. The full InChI is InChI=1S/C11H11NO.C2H6.CH4/c1-3-5-10-9(4-2)6-7-12-11(10)8-13;1-2;/h3-8H,1H2,2H3;1-2H3;1H4/b9-4-,10-5+;;.
What are the key properties of ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde;methane?
ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde;methane has a molecular weight of 219.33 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde;methane is sourced from PubChem (CID 162444125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).