7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone

C18H15NO — CID 66394358

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)C2Cc3ccccc32)c2ccccc21
InChIInChI=1S/C18H15NO/c1-19-11-16(14-8-4-5-9-17(14)19)18(20)15-10-12-6-2-3-7-13(12)15/h2-9,11,15H,10H2,1H3
InChIKeyDZJYRLMLQFYIBE-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.70
Rot. Bonds2

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone (PubChem CID 66394358) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone
PubChem CID66394358
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)C2Cc3ccccc32)c2ccccc21
InChIInChI=1S/C18H15NO/c1-19-11-16(14-8-4-5-9-17(14)19)18(20)15-10-12-6-2-3-7-13(12)15/h2-9,11,15H,10H2,1H3
InChIKeyDZJYRLMLQFYIBE-UHFFFAOYSA-N
XLogP3.70
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone (CID 66394358) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone is Cn1cc(C(=O)C2Cc3ccccc32)c2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone?
The InChIKey is DZJYRLMLQFYIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-19-11-16(14-8-4-5-9-17(14)19)18(20)15-10-12-6-2-3-7-13(12)15/h2-9,11,15H,10H2,1H3.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone?
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone has a molecular weight of 261.32 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 66394358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).