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

C18H17N — CID 102189641

IUPAC3-methyl-3-[(E)-3-phenylprop-2-enyl]indole
SMILESCC1(C/C=C/c2ccccc2)C=Nc2ccccc21
InChIInChI=1S/C18H17N/c1-18(13-7-10-15-8-3-2-4-9-15)14-19-17-12-6-5-11-16(17)18/h2-12,14H,13H2,1H3/b10-7+
InChIKeyHKPFZVNMCQILQD-JXMROGBWSA-N
MW247.34 g/mol
LogP4.76
Rot. Bonds3

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

3-methyl-3-[(E)-3-phenylprop-2-enyl]indole (PubChem CID 102189641) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-methyl-3-[(E)-3-phenylprop-2-enyl]indole.

Molecular Properties

Compound Name3-methyl-3-[(E)-3-phenylprop-2-enyl]indole
PubChem CID102189641
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name3-methyl-3-[(E)-3-phenylprop-2-enyl]indole
SMILESCC1(C/C=C/c2ccccc2)C=Nc2ccccc21
InChIInChI=1S/C18H17N/c1-18(13-7-10-15-8-3-2-4-9-15)14-19-17-12-6-5-11-16(17)18/h2-12,14H,13H2,1H3/b10-7+
InChIKeyHKPFZVNMCQILQD-JXMROGBWSA-N
XLogP4.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3H-Indole, 2,3,3-trimethyl-
CID 15427
N-Benzylideneaniline
CID 10858
Morphanthridine
CID 10878016
3H-Indole, 2,3,3,5-tetramethyl-
CID 117693
3-methylene-3H-indole
CID 170404
3H-Indole, 3,3-dimethyl-2-[2-(4-dimethylaminophenyl)ethenyl]-
CID 5378335
3H-Indole, 3-(p-dimethylamino)benzylidene-
CID 6435301
N-Benzylidene-4-biphenylamine
CID 292639
N-Benzylidene-4-ethylaniline
CID 4990418
N-Benzylidene-o-toluidine
CID 97516
4A-Methyl-2,3,4,4A-tetrahydro-1H-carbazole
CID 3292772
N-(2-methylphenyl)-N-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]amine
CID 1211230

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(E)-3-phenylprop-2-enyl]indole?
The IUPAC name of 3-methyl-3-[(E)-3-phenylprop-2-enyl]indole (CID 102189641) is 3-methyl-3-[(E)-3-phenylprop-2-enyl]indole.
What is the SMILES notation for 3-methyl-3-[(E)-3-phenylprop-2-enyl]indole?
The canonical SMILES for 3-methyl-3-[(E)-3-phenylprop-2-enyl]indole is CC1(C/C=C/c2ccccc2)C=Nc2ccccc21.
What is the InChIKey of 3-methyl-3-[(E)-3-phenylprop-2-enyl]indole?
The InChIKey is HKPFZVNMCQILQD-JXMROGBWSA-N. The full InChI is InChI=1S/C18H17N/c1-18(13-7-10-15-8-3-2-4-9-15)14-19-17-12-6-5-11-16(17)18/h2-12,14H,13H2,1H3/b10-7+.
What are the key properties of 3-methyl-3-[(E)-3-phenylprop-2-enyl]indole?
3-methyl-3-[(E)-3-phenylprop-2-enyl]indole has a molecular weight of 247.34 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(E)-3-phenylprop-2-enyl]indole is sourced from PubChem (CID 102189641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).