(3E)-4-methylidene-3-prop-2-enylidenepyridine-2-carbaldehyde

C10H9NO — CID 145424269

IUPAC(3E)-4-methylidene-3-prop-2-enylidenepyridine-2-carbaldehyde
SMILESC=C/C=c1/c(C=O)nccc1=C
InChIInChI=1S/C10H9NO/c1-3-4-9-8(2)5-6-11-10(9)7-12/h3-7H,1-2H2/b9-4+
InChIKeyBRSNDMVNWUQSHM-RUDMXATFSA-N
MW159.19 g/mol
LogP0.27
Rot. Bonds2

About (3E)-4-methylidene-3-prop-2-enylidenepyridine-2-carbaldehyde

(3E)-4-methylidene-3-prop-2-enylidenepyridine-2-carbaldehyde (PubChem CID 145424269) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is (3E)-4-methylidene-3-prop-2-enylidenepyridine-2-carbaldehyde.

Molecular Properties

Compound Name(3E)-4-methylidene-3-prop-2-enylidenepyridine-2-carbaldehyde
PubChem CID145424269
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name(3E)-4-methylidene-3-prop-2-enylidenepyridine-2-carbaldehyde
SMILESC=C/C=c1/c(C=O)nccc1=C
InChIInChI=1S/C10H9NO/c1-3-4-9-8(2)5-6-11-10(9)7-12/h3-7H,1-2H2/b9-4+
InChIKeyBRSNDMVNWUQSHM-RUDMXATFSA-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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Related Compounds

3-(2,3-Dihydropyridin-6-yl)propanal
CID 21660505
2-(7H-indol-2-yl)acetaldehyde
CID 87427885
3-Azabicyclo[4.1.0]hepta-1(7),2,4-triene-2-carbaldehyde
CID 89101942
(3Z)-2-ethenyliminohexa-3,5-dienal
CID 89248761
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
4H-cyclopenta[b]pyridine-3-carbaldehyde
CID 145273813
8aH-isoquinoline-1-carbaldehyde
CID 148095076
7H-indole-3-carbaldehyde
CID 155287094
ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde;methane
CID 162444125
7,9-Dihydro-1-benzazepin-8-one
CID 172838380
4,4a-Dihydroquinoline;propanal
CID 173239574

Frequently Asked Questions

What is the IUPAC name of (3E)-4-methylidene-3-prop-2-enylidenepyridine-2-carbaldehyde?
The IUPAC name of (3E)-4-methylidene-3-prop-2-enylidenepyridine-2-carbaldehyde (CID 145424269) is (3E)-4-methylidene-3-prop-2-enylidenepyridine-2-carbaldehyde.
What is the SMILES notation for (3E)-4-methylidene-3-prop-2-enylidenepyridine-2-carbaldehyde?
The canonical SMILES for (3E)-4-methylidene-3-prop-2-enylidenepyridine-2-carbaldehyde is C=C/C=c1/c(C=O)nccc1=C.
What is the InChIKey of (3E)-4-methylidene-3-prop-2-enylidenepyridine-2-carbaldehyde?
The InChIKey is BRSNDMVNWUQSHM-RUDMXATFSA-N. The full InChI is InChI=1S/C10H9NO/c1-3-4-9-8(2)5-6-11-10(9)7-12/h3-7H,1-2H2/b9-4+.
What are the key properties of (3E)-4-methylidene-3-prop-2-enylidenepyridine-2-carbaldehyde?
(3E)-4-methylidene-3-prop-2-enylidenepyridine-2-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 (3E)-4-methylidene-3-prop-2-enylidenepyridine-2-carbaldehyde is sourced from PubChem (CID 145424269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).