3-[(E)-but-1-enyl]-2-propan-2-yl-1H-indole

C15H19N — CID 102241290

IUPAC3-[(E)-but-1-enyl]-2-propan-2-yl-1H-indole
SMILESCC/C=C/c1c(C(C)C)[nH]c2ccccc12
InChIInChI=1S/C15H19N/c1-4-5-8-13-12-9-6-7-10-14(12)16-15(13)11(2)3/h5-11,16H,4H2,1-3H3/b8-5+
InChIKeyYHNUISFOJDRVAL-VMPITWQZSA-N
MW213.32 g/mol
LogP4.71
Rot. Bonds3

About 3-[(E)-but-1-enyl]-2-propan-2-yl-1H-indole

3-[(E)-but-1-enyl]-2-propan-2-yl-1H-indole (PubChem CID 102241290) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[(E)-but-1-enyl]-2-propan-2-yl-1H-indole.

Molecular Properties

Compound Name3-[(E)-but-1-enyl]-2-propan-2-yl-1H-indole
PubChem CID102241290
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name3-[(E)-but-1-enyl]-2-propan-2-yl-1H-indole
SMILESCC/C=C/c1c(C(C)C)[nH]c2ccccc12
InChIInChI=1S/C15H19N/c1-4-5-8-13-12-9-6-7-10-14(12)16-15(13)11(2)3/h5-11,16H,4H2,1-3H3/b8-5+
InChIKeyYHNUISFOJDRVAL-VMPITWQZSA-N
XLogP4.71
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-1-enyl]-2-propan-2-yl-1H-indole?
The IUPAC name of 3-[(E)-but-1-enyl]-2-propan-2-yl-1H-indole (CID 102241290) is 3-[(E)-but-1-enyl]-2-propan-2-yl-1H-indole.
What is the SMILES notation for 3-[(E)-but-1-enyl]-2-propan-2-yl-1H-indole?
The canonical SMILES for 3-[(E)-but-1-enyl]-2-propan-2-yl-1H-indole is CC/C=C/c1c(C(C)C)[nH]c2ccccc12.
What is the InChIKey of 3-[(E)-but-1-enyl]-2-propan-2-yl-1H-indole?
The InChIKey is YHNUISFOJDRVAL-VMPITWQZSA-N. The full InChI is InChI=1S/C15H19N/c1-4-5-8-13-12-9-6-7-10-14(12)16-15(13)11(2)3/h5-11,16H,4H2,1-3H3/b8-5+.
What are the key properties of 3-[(E)-but-1-enyl]-2-propan-2-yl-1H-indole?
3-[(E)-but-1-enyl]-2-propan-2-yl-1H-indole has a molecular weight of 213.32 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-1-enyl]-2-propan-2-yl-1H-indole is sourced from PubChem (CID 102241290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).