6-methyl-5-methylidene-7-pentyl-2,3-dihydroindole

C15H21N — CID 129136670

IUPAC6-methyl-5-methylidene-7-pentyl-2,3-dihydroindole
SMILESC=c1cc2c(c(CCCCC)c1C)=NCC2
InChIInChI=1S/C15H21N/c1-4-5-6-7-14-12(3)11(2)10-13-8-9-16-15(13)14/h10H,2,4-9H2,1,3H3
InChIKeyAYSLAQKXSMVPMY-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.31
Rot. Bonds4

About 6-methyl-5-methylidene-7-pentyl-2,3-dihydroindole

6-methyl-5-methylidene-7-pentyl-2,3-dihydroindole (PubChem CID 129136670) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 6-methyl-5-methylidene-7-pentyl-2,3-dihydroindole.

Molecular Properties

Compound Name6-methyl-5-methylidene-7-pentyl-2,3-dihydroindole
PubChem CID129136670
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name6-methyl-5-methylidene-7-pentyl-2,3-dihydroindole
SMILESC=c1cc2c(c(CCCCC)c1C)=NCC2
InChIInChI=1S/C15H21N/c1-4-5-6-7-14-12(3)11(2)10-13-8-9-16-15(13)14/h10H,2,4-9H2,1,3H3
InChIKeyAYSLAQKXSMVPMY-UHFFFAOYSA-N
XLogP2.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-methylidene-7-pentyl-2,3-dihydroindole?
The IUPAC name of 6-methyl-5-methylidene-7-pentyl-2,3-dihydroindole (CID 129136670) is 6-methyl-5-methylidene-7-pentyl-2,3-dihydroindole.
What is the SMILES notation for 6-methyl-5-methylidene-7-pentyl-2,3-dihydroindole?
The canonical SMILES for 6-methyl-5-methylidene-7-pentyl-2,3-dihydroindole is C=c1cc2c(c(CCCCC)c1C)=NCC2.
What is the InChIKey of 6-methyl-5-methylidene-7-pentyl-2,3-dihydroindole?
The InChIKey is AYSLAQKXSMVPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-4-5-6-7-14-12(3)11(2)10-13-8-9-16-15(13)14/h10H,2,4-9H2,1,3H3.
What are the key properties of 6-methyl-5-methylidene-7-pentyl-2,3-dihydroindole?
6-methyl-5-methylidene-7-pentyl-2,3-dihydroindole has a molecular weight of 215.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-methylidene-7-pentyl-2,3-dihydroindole is sourced from PubChem (CID 129136670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).