2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-5-methyl-5H-chromeno[2,3-b]pyridine;ethane

C24H29NO — CID 143629931

IUPAC2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-5-methyl-5H-chromeno[2,3-b]pyridine;ethane
SMILESCC.CC.CC1c2ccccc2Oc2nc(C3=CC4CC4C=C3)ccc21
InChIInChI=1S/C20H17NO.2C2H6/c1-12-16-4-2-3-5-19(16)22-20-17(12)8-9-18(21-20)14-7-6-13-10-15(13)11-14;2*1-2/h2-9,11-13,15H,10H2,1H3;2*1-2H3
InChIKeyZCCHIYBSDRTXTL-UHFFFAOYSA-N
MW347.50 g/mol
LogP6.98
Rot. Bonds1

About 2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-5-methyl-5H-chromeno[2,3-b]pyridine;ethane

2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-5-methyl-5H-chromeno[2,3-b]pyridine;ethane (PubChem CID 143629931) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-5-methyl-5H-chromeno[2,3-b]pyridine;ethane.

Molecular Properties

Compound Name2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-5-methyl-5H-chromeno[2,3-b]pyridine;ethane
PubChem CID143629931
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-5-methyl-5H-chromeno[2,3-b]pyridine;ethane
SMILESCC.CC.CC1c2ccccc2Oc2nc(C3=CC4CC4C=C3)ccc21
InChIInChI=1S/C20H17NO.2C2H6/c1-12-16-4-2-3-5-19(16)22-20-17(12)8-9-18(21-20)14-7-6-13-10-15(13)11-14;2*1-2/h2-9,11-13,15H,10H2,1H3;2*1-2H3
InChIKeyZCCHIYBSDRTXTL-UHFFFAOYSA-N
XLogP6.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-5-methyl-5H-chromeno[2,3-b]pyridine;ethane?
The IUPAC name of 2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-5-methyl-5H-chromeno[2,3-b]pyridine;ethane (CID 143629931) is 2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-5-methyl-5H-chromeno[2,3-b]pyridine;ethane.
What is the SMILES notation for 2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-5-methyl-5H-chromeno[2,3-b]pyridine;ethane?
The canonical SMILES for 2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-5-methyl-5H-chromeno[2,3-b]pyridine;ethane is CC.CC.CC1c2ccccc2Oc2nc(C3=CC4CC4C=C3)ccc21.
What is the InChIKey of 2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-5-methyl-5H-chromeno[2,3-b]pyridine;ethane?
The InChIKey is ZCCHIYBSDRTXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO.2C2H6/c1-12-16-4-2-3-5-19(16)22-20-17(12)8-9-18(21-20)14-7-6-13-10-15(13)11-14;2*1-2/h2-9,11-13,15H,10H2,1H3;2*1-2H3.
What are the key properties of 2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-5-methyl-5H-chromeno[2,3-b]pyridine;ethane?
2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-5-methyl-5H-chromeno[2,3-b]pyridine;ethane has a molecular weight of 347.50 g/mol, XLogP of 6.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-5-methyl-5H-chromeno[2,3-b]pyridine;ethane is sourced from PubChem (CID 143629931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).