2-methyl-1-[(E)-prop-1-enyl]indole

C12H13N — CID 146176908

IUPAC2-methyl-1-[(E)-prop-1-enyl]indole
SMILESC/C=C/n1c(C)cc2ccccc21
InChIInChI=1S/C12H13N/c1-3-8-13-10(2)9-11-6-4-5-7-12(11)13/h3-9H,1-2H3/b8-3+
InChIKeyXAXPESPRFYTMLW-FPYGCLRLSA-N
MW171.24 g/mol
LogP3.44
Rot. Bonds1

About 2-methyl-1-[(E)-prop-1-enyl]indole

2-methyl-1-[(E)-prop-1-enyl]indole (PubChem CID 146176908) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methyl-1-[(E)-prop-1-enyl]indole.

Molecular Properties

Compound Name2-methyl-1-[(E)-prop-1-enyl]indole
PubChem CID146176908
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name2-methyl-1-[(E)-prop-1-enyl]indole
SMILESC/C=C/n1c(C)cc2ccccc21
InChIInChI=1S/C12H13N/c1-3-8-13-10(2)9-11-6-4-5-7-12(11)13/h3-9H,1-2H3/b8-3+
InChIKeyXAXPESPRFYTMLW-FPYGCLRLSA-N
XLogP3.44
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(E)-prop-1-enyl]indole?
The IUPAC name of 2-methyl-1-[(E)-prop-1-enyl]indole (CID 146176908) is 2-methyl-1-[(E)-prop-1-enyl]indole.
What is the SMILES notation for 2-methyl-1-[(E)-prop-1-enyl]indole?
The canonical SMILES for 2-methyl-1-[(E)-prop-1-enyl]indole is C/C=C/n1c(C)cc2ccccc21.
What is the InChIKey of 2-methyl-1-[(E)-prop-1-enyl]indole?
The InChIKey is XAXPESPRFYTMLW-FPYGCLRLSA-N. The full InChI is InChI=1S/C12H13N/c1-3-8-13-10(2)9-11-6-4-5-7-12(11)13/h3-9H,1-2H3/b8-3+.
What are the key properties of 2-methyl-1-[(E)-prop-1-enyl]indole?
2-methyl-1-[(E)-prop-1-enyl]indole has a molecular weight of 171.24 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(E)-prop-1-enyl]indole is sourced from PubChem (CID 146176908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).