1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylindole

C18H17N — CID 116620411

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylindole
SMILESCc1cccc2c1ccn2CC1Cc2ccccc21
InChIInChI=1S/C18H17N/c1-13-5-4-8-18-16(13)9-10-19(18)12-15-11-14-6-2-3-7-17(14)15/h2-10,15H,11-12H2,1H3
InChIKeySLXUTMGRFVMUJP-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.29
Rot. Bonds2

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylindole

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylindole (PubChem CID 116620411) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylindole.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylindole
PubChem CID116620411
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylindole
SMILESCc1cccc2c1ccn2CC1Cc2ccccc21
InChIInChI=1S/C18H17N/c1-13-5-4-8-18-16(13)9-10-19(18)12-15-11-14-6-2-3-7-17(14)15/h2-10,15H,11-12H2,1H3
InChIKeySLXUTMGRFVMUJP-UHFFFAOYSA-N
XLogP4.29
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methoxyindole
CID 83165935
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)indole-4-carbothioamide
CID 107919375
4-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)indole
CID 116623661
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)indole-5-carboxylic acid
CID 66419533
1-(2-cyclopentylethyl)-4-methylindole
CID 114192720
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-iodo-4-methylpyridin-2-one
CID 79784821
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-sulfanylidenepyrimidin-4-one
CID 66410193
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylimidazol-2-amine
CID 106575971
3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,3-thiazol-2-one
CID 116622648
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole
CID 116620312
trifluoro-[(4-methylindol-1-yl)methyl]boranuide
CID 63703617
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethylbenzimidazol-2-one
CID 116621220

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylindole?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylindole (CID 116620411) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylindole.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylindole?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylindole is Cc1cccc2c1ccn2CC1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylindole?
The InChIKey is SLXUTMGRFVMUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-13-5-4-8-18-16(13)9-10-19(18)12-15-11-14-6-2-3-7-17(14)15/h2-10,15H,11-12H2,1H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylindole?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylindole has a molecular weight of 247.34 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylindole is sourced from PubChem (CID 116620411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).