2-heptyl-1H-indole

C15H21N — CID 3719004

IUPAC2-heptyl-1H-indole
SMILESCCCCCCCc1cc2ccccc2[nH]1
InChIInChI=1S/C15H21N/c1-2-3-4-5-6-10-14-12-13-9-7-8-11-15(13)16-14/h7-9,11-12,16H,2-6,10H2,1H3
InChIKeyXZMDPQNUMUUULV-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.68
Rot. Bonds6

About 2-heptyl-1H-indole

2-heptyl-1H-indole (PubChem CID 3719004) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-heptyl-1H-indole.

Molecular Properties

Compound Name2-heptyl-1H-indole
PubChem CID3719004
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-heptyl-1H-indole
SMILESCCCCCCCc1cc2ccccc2[nH]1
InChIInChI=1S/C15H21N/c1-2-3-4-5-6-10-14-12-13-9-7-8-11-15(13)16-14/h7-9,11-12,16H,2-6,10H2,1H3
InChIKeyXZMDPQNUMUUULV-UHFFFAOYSA-N
XLogP4.68
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-hexyl-1H-indole
CID 14299246
formamide;2-pentyl-1H-indole;piperazine
CID 174799337
2-octyl-5-phenyl-1H-indole
CID 134909135
2-(3-chloropropyl)-1H-indole
CID 13271043
2-(4-methylpentyl)-1H-indole
CID 18761636
6-bromo-2-octyl-1H-indole
CID 86224131
2-pentyl-1H-indole;piperazine-1-carboxamide
CID 174799325
2-(4-fluoropentyl)-1H-indole
CID 170987599
4-(1H-indol-2-yl)butylboronic acid
CID 67682562
2-heptyl-1H-quinolin-4-one
CID 172676764
2-heptyl-1H-quinolin-4-one
CID 172676765
8-(1H-indol-2-yl)octanoic acid
CID 54343320

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-1H-indole?
The IUPAC name of 2-heptyl-1H-indole (CID 3719004) is 2-heptyl-1H-indole.
What is the SMILES notation for 2-heptyl-1H-indole?
The canonical SMILES for 2-heptyl-1H-indole is CCCCCCCc1cc2ccccc2[nH]1.
What is the InChIKey of 2-heptyl-1H-indole?
The InChIKey is XZMDPQNUMUUULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-2-3-4-5-6-10-14-12-13-9-7-8-11-15(13)16-14/h7-9,11-12,16H,2-6,10H2,1H3.
What are the key properties of 2-heptyl-1H-indole?
2-heptyl-1H-indole has a molecular weight of 215.34 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-1H-indole is sourced from PubChem (CID 3719004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).