7,8-bis(ethenyl)-1-hexa-2,4-dien-3-yl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine

C17H23NO — CID 123424498

IUPAC7,8-bis(ethenyl)-1-hexa-2,4-dien-3-yl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine
SMILESC=CC1=C(C=C)C2C(C(C=CC)=CC)OCN2CC1
InChIInChI=1S/C17H23NO/c1-5-9-14(7-3)17-16-15(8-4)13(6-2)10-11-18(16)12-19-17/h5-9,16-17H,2,4,10-12H2,1,3H3
InChIKeyGGQJADPGMCJKEO-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.61
Rot. Bonds4

About 7,8-bis(ethenyl)-1-hexa-2,4-dien-3-yl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine

7,8-bis(ethenyl)-1-hexa-2,4-dien-3-yl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine (PubChem CID 123424498) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 7,8-bis(ethenyl)-1-hexa-2,4-dien-3-yl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine.

Molecular Properties

Compound Name7,8-bis(ethenyl)-1-hexa-2,4-dien-3-yl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine
PubChem CID123424498
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name7,8-bis(ethenyl)-1-hexa-2,4-dien-3-yl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine
SMILESC=CC1=C(C=C)C2C(C(C=CC)=CC)OCN2CC1
InChIInChI=1S/C17H23NO/c1-5-9-14(7-3)17-16-15(8-4)13(6-2)10-11-18(16)12-19-17/h5-9,16-17H,2,4,10-12H2,1,3H3
InChIKeyGGQJADPGMCJKEO-UHFFFAOYSA-N
XLogP3.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7,8-bis(ethenyl)-1-hexa-2,4-dien-3-yl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,8-bis(ethenyl)-1-hexa-2,4-dien-3-yl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine?
The IUPAC name of 7,8-bis(ethenyl)-1-hexa-2,4-dien-3-yl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine (CID 123424498) is 7,8-bis(ethenyl)-1-hexa-2,4-dien-3-yl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine.
What is the SMILES notation for 7,8-bis(ethenyl)-1-hexa-2,4-dien-3-yl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine?
The canonical SMILES for 7,8-bis(ethenyl)-1-hexa-2,4-dien-3-yl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine is C=CC1=C(C=C)C2C(C(C=CC)=CC)OCN2CC1.
What is the InChIKey of 7,8-bis(ethenyl)-1-hexa-2,4-dien-3-yl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine?
The InChIKey is GGQJADPGMCJKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-5-9-14(7-3)17-16-15(8-4)13(6-2)10-11-18(16)12-19-17/h5-9,16-17H,2,4,10-12H2,1,3H3.
What are the key properties of 7,8-bis(ethenyl)-1-hexa-2,4-dien-3-yl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine?
7,8-bis(ethenyl)-1-hexa-2,4-dien-3-yl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine has a molecular weight of 257.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-bis(ethenyl)-1-hexa-2,4-dien-3-yl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine is sourced from PubChem (CID 123424498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).