3-ethyl-5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]furo[3,2-b]pyridine

C16H17NO — CID 144953340

IUPAC3-ethyl-5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]furo[3,2-b]pyridine
SMILESC=C/C(=C\C=C/C)c1ccc2occ(CC)c2n1
InChIInChI=1S/C16H17NO/c1-4-7-8-12(5-2)14-9-10-15-16(17-14)13(6-3)11-18-15/h4-5,7-11H,2,6H2,1,3H3/b7-4-,12-8+
InChIKeySCVPGJNIPYWFEU-OTIJGBKASA-N
MW239.32 g/mol
LogP4.54
Rot. Bonds4

About 3-ethyl-5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]furo[3,2-b]pyridine

3-ethyl-5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]furo[3,2-b]pyridine (PubChem CID 144953340) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-ethyl-5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name3-ethyl-5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]furo[3,2-b]pyridine
PubChem CID144953340
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-ethyl-5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]furo[3,2-b]pyridine
SMILESC=C/C(=C\C=C/C)c1ccc2occ(CC)c2n1
InChIInChI=1S/C16H17NO/c1-4-7-8-12(5-2)14-9-10-15-16(17-14)13(6-3)11-18-15/h4-5,7-11H,2,6H2,1,3H3/b7-4-,12-8+
InChIKeySCVPGJNIPYWFEU-OTIJGBKASA-N
XLogP4.54
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3E,5E)-hepta-1,3,5-trien-3-yl]benzo[f]chromen-1-one
CID 145204602
methyl 6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 156715206
4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-propan-2-ylpyrimidine
CID 139505739
ethane;2-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]pyrimidine
CID 153344116
5-ethyl-3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-1,2,4-triazole;molecular hydrogen
CID 143106810
5-ethyl-2-[(3E)-hexa-1,3,5-trien-3-yl]pyridine
CID 177047395
4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3H-1,3-oxazole-2-thione
CID 155236407
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene
CID 142152757
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-3-amine
CID 145073918
2-bromo-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-[(3E)-penta-1,3-dien-3-yl]pyridine;ethene
CID 144645865
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methyl-1,3-thiazole
CID 143468750
2-chloro-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine
CID 145217979

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]furo[3,2-b]pyridine?
The IUPAC name of 3-ethyl-5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]furo[3,2-b]pyridine (CID 144953340) is 3-ethyl-5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]furo[3,2-b]pyridine.
What is the SMILES notation for 3-ethyl-5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]furo[3,2-b]pyridine?
The canonical SMILES for 3-ethyl-5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]furo[3,2-b]pyridine is C=C/C(=C\C=C/C)c1ccc2occ(CC)c2n1.
What is the InChIKey of 3-ethyl-5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]furo[3,2-b]pyridine?
The InChIKey is SCVPGJNIPYWFEU-OTIJGBKASA-N. The full InChI is InChI=1S/C16H17NO/c1-4-7-8-12(5-2)14-9-10-15-16(17-14)13(6-3)11-18-15/h4-5,7-11H,2,6H2,1,3H3/b7-4-,12-8+.
What are the key properties of 3-ethyl-5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]furo[3,2-b]pyridine?
3-ethyl-5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]furo[3,2-b]pyridine has a molecular weight of 239.32 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]furo[3,2-b]pyridine is sourced from PubChem (CID 144953340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).