ethane;(5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde

C12H15NO — CID 143052989

IUPACethane;(5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde
SMILESC=C/C=c1/cc(C=O)cnc1=C.CC
InChIInChI=1S/C10H9NO.C2H6/c1-3-4-10-5-9(7-12)6-11-8(10)2;1-2/h3-7H,1-2H2;1-2H3/b10-4-;
InChIKeyWVJVHIYZOQMFQL-MDZFRNKHSA-N
MW189.26 g/mol
LogP1.30
Rot. Bonds2

About ethane;(5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde

ethane;(5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde (PubChem CID 143052989) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is ethane;(5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde.

Molecular Properties

Compound Nameethane;(5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde
PubChem CID143052989
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Nameethane;(5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde
SMILESC=C/C=c1/cc(C=O)cnc1=C.CC
InChIInChI=1S/C10H9NO.C2H6/c1-3-4-10-5-9(7-12)6-11-8(10)2;1-2/h3-7H,1-2H2;1-2H3/b10-4-;
InChIKeyWVJVHIYZOQMFQL-MDZFRNKHSA-N
XLogP1.30
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde?
The IUPAC name of ethane;(5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde (CID 143052989) is ethane;(5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde.
What is the SMILES notation for ethane;(5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde?
The canonical SMILES for ethane;(5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde is C=C/C=c1/cc(C=O)cnc1=C.CC.
What is the InChIKey of ethane;(5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde?
The InChIKey is WVJVHIYZOQMFQL-MDZFRNKHSA-N. The full InChI is InChI=1S/C10H9NO.C2H6/c1-3-4-10-5-9(7-12)6-11-8(10)2;1-2/h3-7H,1-2H2;1-2H3/b10-4-;.
What are the key properties of ethane;(5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde?
ethane;(5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde has a molecular weight of 189.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde is sourced from PubChem (CID 143052989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).