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

C11H11NO — CID 162444126

IUPAC(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde
SMILESC=C/C=c1/c(C=O)ncc/c1=C/C
InChIInChI=1S/C11H11NO/c1-3-5-10-9(4-2)6-7-12-11(10)8-13/h3-8H,1H2,2H3/b9-4-,10-5+
InChIKeyOPPGKFSTVGPGME-DHPVUTNOSA-N
MW173.21 g/mol
LogP0.66
Rot. Bonds2

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

(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde (PubChem CID 162444126) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is (3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde.

Molecular Properties

Compound Name(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde
PubChem CID162444126
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde
SMILESC=C/C=c1/c(C=O)ncc/c1=C/C
InChIInChI=1S/C11H11NO/c1-3-5-10-9(4-2)6-7-12-11(10)8-13/h3-8H,1H2,2H3/b9-4-,10-5+
InChIKeyOPPGKFSTVGPGME-DHPVUTNOSA-N
XLogP0.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.66
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 (3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde?
The IUPAC name of (3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde (CID 162444126) is (3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde.
What is the SMILES notation for (3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde?
The canonical SMILES for (3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde is C=C/C=c1/c(C=O)ncc/c1=C/C.
What is the InChIKey of (3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde?
The InChIKey is OPPGKFSTVGPGME-DHPVUTNOSA-N. The full InChI is InChI=1S/C11H11NO/c1-3-5-10-9(4-2)6-7-12-11(10)8-13/h3-8H,1H2,2H3/b9-4-,10-5+.
What are the key properties of (3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde?
(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde has a molecular weight of 173.21 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde is sourced from PubChem (CID 162444126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).