6-(3-methylbut-2-enyl)-3-propyl-1H-indole

C16H21N — CID 170014016

IUPAC6-(3-methylbut-2-enyl)-3-propyl-1H-indole
SMILESCCCc1c[nH]c2cc(CC=C(C)C)ccc12
InChIInChI=1S/C16H21N/c1-4-5-14-11-17-16-10-13(7-6-12(2)3)8-9-15(14)16/h6,8-11,17H,4-5,7H2,1-3H3
InChIKeyNEJXGPCOHXOQKZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.63
Rot. Bonds4

About 6-(3-methylbut-2-enyl)-3-propyl-1H-indole

6-(3-methylbut-2-enyl)-3-propyl-1H-indole (PubChem CID 170014016) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 6-(3-methylbut-2-enyl)-3-propyl-1H-indole.

Molecular Properties

Compound Name6-(3-methylbut-2-enyl)-3-propyl-1H-indole
PubChem CID170014016
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name6-(3-methylbut-2-enyl)-3-propyl-1H-indole
SMILESCCCc1c[nH]c2cc(CC=C(C)C)ccc12
InChIInChI=1S/C16H21N/c1-4-5-14-11-17-16-10-13(7-6-12(2)3)8-9-15(14)16/h6,8-11,17H,4-5,7H2,1-3H3
InChIKeyNEJXGPCOHXOQKZ-UHFFFAOYSA-N
XLogP4.63
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbut-2-enyl)-3-propyl-1H-indole?
The IUPAC name of 6-(3-methylbut-2-enyl)-3-propyl-1H-indole (CID 170014016) is 6-(3-methylbut-2-enyl)-3-propyl-1H-indole.
What is the SMILES notation for 6-(3-methylbut-2-enyl)-3-propyl-1H-indole?
The canonical SMILES for 6-(3-methylbut-2-enyl)-3-propyl-1H-indole is CCCc1c[nH]c2cc(CC=C(C)C)ccc12.
What is the InChIKey of 6-(3-methylbut-2-enyl)-3-propyl-1H-indole?
The InChIKey is NEJXGPCOHXOQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-4-5-14-11-17-16-10-13(7-6-12(2)3)8-9-15(14)16/h6,8-11,17H,4-5,7H2,1-3H3.
What are the key properties of 6-(3-methylbut-2-enyl)-3-propyl-1H-indole?
6-(3-methylbut-2-enyl)-3-propyl-1H-indole has a molecular weight of 227.35 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbut-2-enyl)-3-propyl-1H-indole is sourced from PubChem (CID 170014016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).