(6Z)-1-ethenyl-6-ethylidenepyridine-2-carbaldehyde

C10H11NO — CID 122609578

IUPAC(6Z)-1-ethenyl-6-ethylidenepyridine-2-carbaldehyde
SMILESC=CN1C(C=O)=CC=C/C1=C/C
InChIInChI=1S/C10H11NO/c1-3-9-6-5-7-10(8-12)11(9)4-2/h3-8H,2H2,1H3/b9-3-
InChIKeyXHTCGGDWNUSCDM-OQFOIZHKSA-N
MW161.20 g/mol
LogP1.99
Rot. Bonds2

About (6Z)-1-ethenyl-6-ethylidenepyridine-2-carbaldehyde

(6Z)-1-ethenyl-6-ethylidenepyridine-2-carbaldehyde (PubChem CID 122609578) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (6Z)-1-ethenyl-6-ethylidenepyridine-2-carbaldehyde.

Molecular Properties

Compound Name(6Z)-1-ethenyl-6-ethylidenepyridine-2-carbaldehyde
PubChem CID122609578
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(6Z)-1-ethenyl-6-ethylidenepyridine-2-carbaldehyde
SMILESC=CN1C(C=O)=CC=C/C1=C/C
InChIInChI=1S/C10H11NO/c1-3-9-6-5-7-10(8-12)11(9)4-2/h3-8H,2H2,1H3/b9-3-
InChIKeyXHTCGGDWNUSCDM-OQFOIZHKSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.99
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 (6Z)-1-ethenyl-6-ethylidenepyridine-2-carbaldehyde?
The IUPAC name of (6Z)-1-ethenyl-6-ethylidenepyridine-2-carbaldehyde (CID 122609578) is (6Z)-1-ethenyl-6-ethylidenepyridine-2-carbaldehyde.
What is the SMILES notation for (6Z)-1-ethenyl-6-ethylidenepyridine-2-carbaldehyde?
The canonical SMILES for (6Z)-1-ethenyl-6-ethylidenepyridine-2-carbaldehyde is C=CN1C(C=O)=CC=C/C1=C/C.
What is the InChIKey of (6Z)-1-ethenyl-6-ethylidenepyridine-2-carbaldehyde?
The InChIKey is XHTCGGDWNUSCDM-OQFOIZHKSA-N. The full InChI is InChI=1S/C10H11NO/c1-3-9-6-5-7-10(8-12)11(9)4-2/h3-8H,2H2,1H3/b9-3-.
What are the key properties of (6Z)-1-ethenyl-6-ethylidenepyridine-2-carbaldehyde?
(6Z)-1-ethenyl-6-ethylidenepyridine-2-carbaldehyde has a molecular weight of 161.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-1-ethenyl-6-ethylidenepyridine-2-carbaldehyde is sourced from PubChem (CID 122609578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).