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

C18H17N — CID 10776889

IUPAC3-[(E)-1-phenylbut-2-enyl]-1H-indole
SMILESC/C=C/C(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C18H17N/c1-2-8-15(14-9-4-3-5-10-14)17-13-19-18-12-7-6-11-16(17)18/h2-13,15,19H,1H3/b8-2+
InChIKeyHCVDUOUZJVBXNM-KRXBUXKQSA-N
MW247.34 g/mol
LogP4.88
Rot. Bonds3

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

3-[(E)-1-phenylbut-2-enyl]-1H-indole (PubChem CID 10776889) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[(E)-1-phenylbut-2-enyl]-1H-indole.

Molecular Properties

Compound Name3-[(E)-1-phenylbut-2-enyl]-1H-indole
PubChem CID10776889
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name3-[(E)-1-phenylbut-2-enyl]-1H-indole
SMILESC/C=C/C(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C18H17N/c1-2-8-15(14-9-4-3-5-10-14)17-13-19-18-12-7-6-11-16(17)18/h2-13,15,19H,1H3/b8-2+
InChIKeyHCVDUOUZJVBXNM-KRXBUXKQSA-N
XLogP4.88
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 ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole
CID 11360037
1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
CID 11322318
3-[(E,1R)-1,3-diphenylprop-2-enyl]-6-methyl-1H-indole
CID 102428892
3-propan-2-yl-1H-indole
CID 12534824
3-[(E)-5-methylhex-3-en-2-yl]-1H-indole
CID 102097534
2-(1H-indol-3-yl)-2-phenylethanamine
CID 609935
3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole
CID 57468591
5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole
CID 101435557
(1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol
CID 15981834
1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine
CID 116962085
3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
CID 25098654
4-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole
CID 177440064

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-phenylbut-2-enyl]-1H-indole?
The IUPAC name of 3-[(E)-1-phenylbut-2-enyl]-1H-indole (CID 10776889) is 3-[(E)-1-phenylbut-2-enyl]-1H-indole.
What is the SMILES notation for 3-[(E)-1-phenylbut-2-enyl]-1H-indole?
The canonical SMILES for 3-[(E)-1-phenylbut-2-enyl]-1H-indole is C/C=C/C(c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[(E)-1-phenylbut-2-enyl]-1H-indole?
The InChIKey is HCVDUOUZJVBXNM-KRXBUXKQSA-N. The full InChI is InChI=1S/C18H17N/c1-2-8-15(14-9-4-3-5-10-14)17-13-19-18-12-7-6-11-16(17)18/h2-13,15,19H,1H3/b8-2+.
What are the key properties of 3-[(E)-1-phenylbut-2-enyl]-1H-indole?
3-[(E)-1-phenylbut-2-enyl]-1H-indole has a molecular weight of 247.34 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-phenylbut-2-enyl]-1H-indole is sourced from PubChem (CID 10776889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).