7-methyl-4-(3-methylbut-2-enyl)-3-propyl-1H-indole

C17H23N — CID 170014015

IUPAC7-methyl-4-(3-methylbut-2-enyl)-3-propyl-1H-indole
SMILESCCCc1c[nH]c2c(C)ccc(CC=C(C)C)c12
InChIInChI=1S/C17H23N/c1-5-6-15-11-18-17-13(4)8-10-14(16(15)17)9-7-12(2)3/h7-8,10-11,18H,5-6,9H2,1-4H3
InChIKeyTYTQRCOEITUYGC-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.94
Rot. Bonds4

About 7-methyl-4-(3-methylbut-2-enyl)-3-propyl-1H-indole

7-methyl-4-(3-methylbut-2-enyl)-3-propyl-1H-indole (PubChem CID 170014015) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 7-methyl-4-(3-methylbut-2-enyl)-3-propyl-1H-indole.

Molecular Properties

Compound Name7-methyl-4-(3-methylbut-2-enyl)-3-propyl-1H-indole
PubChem CID170014015
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name7-methyl-4-(3-methylbut-2-enyl)-3-propyl-1H-indole
SMILESCCCc1c[nH]c2c(C)ccc(CC=C(C)C)c12
InChIInChI=1S/C17H23N/c1-5-6-15-11-18-17-13(4)8-10-14(16(15)17)9-7-12(2)3/h7-8,10-11,18H,5-6,9H2,1-4H3
InChIKeyTYTQRCOEITUYGC-UHFFFAOYSA-N
XLogP4.94
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.94
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 7-methyl-4-(3-methylbut-2-enyl)-3-propyl-1H-indole?
The IUPAC name of 7-methyl-4-(3-methylbut-2-enyl)-3-propyl-1H-indole (CID 170014015) is 7-methyl-4-(3-methylbut-2-enyl)-3-propyl-1H-indole.
What is the SMILES notation for 7-methyl-4-(3-methylbut-2-enyl)-3-propyl-1H-indole?
The canonical SMILES for 7-methyl-4-(3-methylbut-2-enyl)-3-propyl-1H-indole is CCCc1c[nH]c2c(C)ccc(CC=C(C)C)c12.
What is the InChIKey of 7-methyl-4-(3-methylbut-2-enyl)-3-propyl-1H-indole?
The InChIKey is TYTQRCOEITUYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-5-6-15-11-18-17-13(4)8-10-14(16(15)17)9-7-12(2)3/h7-8,10-11,18H,5-6,9H2,1-4H3.
What are the key properties of 7-methyl-4-(3-methylbut-2-enyl)-3-propyl-1H-indole?
7-methyl-4-(3-methylbut-2-enyl)-3-propyl-1H-indole has a molecular weight of 241.38 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(3-methylbut-2-enyl)-3-propyl-1H-indole is sourced from PubChem (CID 170014015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).