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

C10H9NO — CID 143052892

IUPAC(5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde
SMILESC=C/C=c1/cc(C=O)cnc1=C
InChIInChI=1S/C10H9NO/c1-3-4-10-5-9(7-12)6-11-8(10)2/h3-7H,1-2H2/b10-4-
InChIKeySGTUPWZVQRWMCT-WMZJFQQLSA-N
MW159.19 g/mol
LogP0.27
Rot. Bonds2

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

(5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde (PubChem CID 143052892) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is (5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde.

Molecular Properties

Compound Name(5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde
PubChem CID143052892
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name(5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde
SMILESC=C/C=c1/cc(C=O)cnc1=C
InChIInChI=1S/C10H9NO/c1-3-4-10-5-9(7-12)6-11-8(10)2/h3-7H,1-2H2/b10-4-
InChIKeySGTUPWZVQRWMCT-WMZJFQQLSA-N
XLogP0.27
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.27
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 (5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde?
The IUPAC name of (5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde (CID 143052892) is (5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde.
What is the SMILES notation for (5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde?
The canonical SMILES for (5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde is C=C/C=c1/cc(C=O)cnc1=C.
What is the InChIKey of (5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde?
The InChIKey is SGTUPWZVQRWMCT-WMZJFQQLSA-N. The full InChI is InChI=1S/C10H9NO/c1-3-4-10-5-9(7-12)6-11-8(10)2/h3-7H,1-2H2/b10-4-.
What are the key properties of (5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde?
(5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde has a molecular weight of 159.19 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-6-methylidene-5-prop-2-enylidenepyridine-3-carbaldehyde is sourced from PubChem (CID 143052892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).