2-methyl-3-[(E)-3-phenylprop-1-enyl]-1H-indole

C18H17N — CID 132502200

IUPAC2-methyl-3-[(E)-3-phenylprop-1-enyl]-1H-indole
SMILESCc1[nH]c2ccccc2c1/C=C/Cc1ccccc1
InChIInChI=1S/C18H17N/c1-14-16(17-11-5-6-13-18(17)19-14)12-7-10-15-8-3-2-4-9-15/h2-9,11-13,19H,10H2,1H3/b12-7+
InChIKeyLRZFZBCBHBOTRD-KPKJPENVSA-N
MW247.34 g/mol
LogP4.73
Rot. Bonds3

About 2-methyl-3-[(E)-3-phenylprop-1-enyl]-1H-indole

2-methyl-3-[(E)-3-phenylprop-1-enyl]-1H-indole (PubChem CID 132502200) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methyl-3-[(E)-3-phenylprop-1-enyl]-1H-indole.

Molecular Properties

Compound Name2-methyl-3-[(E)-3-phenylprop-1-enyl]-1H-indole
PubChem CID132502200
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name2-methyl-3-[(E)-3-phenylprop-1-enyl]-1H-indole
SMILESCc1[nH]c2ccccc2c1/C=C/Cc1ccccc1
InChIInChI=1S/C18H17N/c1-14-16(17-11-5-6-13-18(17)19-14)12-7-10-15-8-3-2-4-9-15/h2-9,11-13,19H,10H2,1H3/b12-7+
InChIKeyLRZFZBCBHBOTRD-KPKJPENVSA-N
XLogP4.73
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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(E)-4-(2-methyl-1H-indol-3-yl)but-3-en-2-one
CID 960498
tert-butyl N-[3-(2-methyl-1H-indol-3-yl)prop-2-enyl]carbamate
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2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1H-indole chloride
CID 45488273
(E)-2-methyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid
CID 116866126
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CID 3125241
3-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one
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N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-phenylaniline
CID 135758920
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3-[(Z)-but-1-enyl]-2-ethyl-1H-indole
CID 143650330

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(E)-3-phenylprop-1-enyl]-1H-indole?
The IUPAC name of 2-methyl-3-[(E)-3-phenylprop-1-enyl]-1H-indole (CID 132502200) is 2-methyl-3-[(E)-3-phenylprop-1-enyl]-1H-indole.
What is the SMILES notation for 2-methyl-3-[(E)-3-phenylprop-1-enyl]-1H-indole?
The canonical SMILES for 2-methyl-3-[(E)-3-phenylprop-1-enyl]-1H-indole is Cc1[nH]c2ccccc2c1/C=C/Cc1ccccc1.
What is the InChIKey of 2-methyl-3-[(E)-3-phenylprop-1-enyl]-1H-indole?
The InChIKey is LRZFZBCBHBOTRD-KPKJPENVSA-N. The full InChI is InChI=1S/C18H17N/c1-14-16(17-11-5-6-13-18(17)19-14)12-7-10-15-8-3-2-4-9-15/h2-9,11-13,19H,10H2,1H3/b12-7+.
What are the key properties of 2-methyl-3-[(E)-3-phenylprop-1-enyl]-1H-indole?
2-methyl-3-[(E)-3-phenylprop-1-enyl]-1H-indole has a molecular weight of 247.34 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(E)-3-phenylprop-1-enyl]-1H-indole is sourced from PubChem (CID 132502200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).