(3S)-3-benzyl-3-prop-2-enylindole

C18H17N — CID 71762622

IUPAC(3S)-3-benzyl-3-prop-2-enylindole
SMILESC=CC[C@@]1(Cc2ccccc2)C=Nc2ccccc21
InChIInChI=1S/C18H17N/c1-2-12-18(13-15-8-4-3-5-9-15)14-19-17-11-7-6-10-16(17)18/h2-11,14H,1,12-13H2/t18-/m1/s1
InChIKeyGMXXLFQVNXTFSK-GOSISDBHSA-N
MW247.34 g/mol
LogP4.46
Rot. Bonds4

About (3S)-3-benzyl-3-prop-2-enylindole

(3S)-3-benzyl-3-prop-2-enylindole (PubChem CID 71762622) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is (3S)-3-benzyl-3-prop-2-enylindole.

Molecular Properties

Compound Name(3S)-3-benzyl-3-prop-2-enylindole
PubChem CID71762622
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name(3S)-3-benzyl-3-prop-2-enylindole
SMILESC=CC[C@@]1(Cc2ccccc2)C=Nc2ccccc21
InChIInChI=1S/C18H17N/c1-2-12-18(13-15-8-4-3-5-9-15)14-19-17-11-7-6-10-16(17)18/h2-11,14H,1,12-13H2/t18-/m1/s1
InChIKeyGMXXLFQVNXTFSK-GOSISDBHSA-N
XLogP4.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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3-methylene-3H-indole
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N-(3-Phenyl-2-propenylidene)aniline
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N-Benzylidene-4-biphenylamine
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N,N'-Bis(2-aminobenzal)ethylenediamine
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N-Benzylidene-o-toluidine
CID 97516
4A-Methyl-2,3,4,4A-tetrahydro-1H-carbazole
CID 3292772
Indolo(3,2-b)carbazole
CID 114764
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Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-3-prop-2-enylindole?
The IUPAC name of (3S)-3-benzyl-3-prop-2-enylindole (CID 71762622) is (3S)-3-benzyl-3-prop-2-enylindole.
What is the SMILES notation for (3S)-3-benzyl-3-prop-2-enylindole?
The canonical SMILES for (3S)-3-benzyl-3-prop-2-enylindole is C=CC[C@@]1(Cc2ccccc2)C=Nc2ccccc21.
What is the InChIKey of (3S)-3-benzyl-3-prop-2-enylindole?
The InChIKey is GMXXLFQVNXTFSK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17N/c1-2-12-18(13-15-8-4-3-5-9-15)14-19-17-11-7-6-10-16(17)18/h2-11,14H,1,12-13H2/t18-/m1/s1.
What are the key properties of (3S)-3-benzyl-3-prop-2-enylindole?
(3S)-3-benzyl-3-prop-2-enylindole has a molecular weight of 247.34 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-3-prop-2-enylindole is sourced from PubChem (CID 71762622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).