5-methyl-6-prop-2-enoxypyridine-3-carbaldehyde

C10H11NO2 — CID 80631853

IUPAC5-methyl-6-prop-2-enoxypyridine-3-carbaldehyde
SMILESC=CCOc1ncc(C=O)cc1C
InChIInChI=1S/C10H11NO2/c1-3-4-13-10-8(2)5-9(7-12)6-11-10/h3,5-7H,1,4H2,2H3
InChIKeyXVLGKNABSHDSNT-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.77
Rot. Bonds4

About 5-methyl-6-prop-2-enoxypyridine-3-carbaldehyde

5-methyl-6-prop-2-enoxypyridine-3-carbaldehyde (PubChem CID 80631853) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 5-methyl-6-prop-2-enoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-6-prop-2-enoxypyridine-3-carbaldehyde
PubChem CID80631853
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name5-methyl-6-prop-2-enoxypyridine-3-carbaldehyde
SMILESC=CCOc1ncc(C=O)cc1C
InChIInChI=1S/C10H11NO2/c1-3-4-13-10-8(2)5-9(7-12)6-11-10/h3,5-7H,1,4H2,2H3
InChIKeyXVLGKNABSHDSNT-UHFFFAOYSA-N
XLogP1.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 69188
CID 69188
CID 81353
CID 81353
CID 215890
CID 215890
CID 10975549
CID 10975549
CID 2781028
CID 2781028
CID 592499
CID 592499
CID 348507
CID 348507
CID 532682
CID 532682
CID 24331
CID 24331
CID 256308
CID 256308
CID 586039
CID 586039
CID 77018
CID 77018

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-prop-2-enoxypyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-6-prop-2-enoxypyridine-3-carbaldehyde (CID 80631853) is 5-methyl-6-prop-2-enoxypyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-6-prop-2-enoxypyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-6-prop-2-enoxypyridine-3-carbaldehyde is C=CCOc1ncc(C=O)cc1C.
What is the InChIKey of 5-methyl-6-prop-2-enoxypyridine-3-carbaldehyde?
The InChIKey is XVLGKNABSHDSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-3-4-13-10-8(2)5-9(7-12)6-11-10/h3,5-7H,1,4H2,2H3.
What are the key properties of 5-methyl-6-prop-2-enoxypyridine-3-carbaldehyde?
5-methyl-6-prop-2-enoxypyridine-3-carbaldehyde has a molecular weight of 177.20 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-prop-2-enoxypyridine-3-carbaldehyde is sourced from PubChem (CID 80631853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).