1-(3-methylbut-3-enyl)-2-phenylindole

C19H19N — CID 114476740

IUPAC1-(3-methylbut-3-enyl)-2-phenylindole
SMILESC=C(C)CCn1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C19H19N/c1-15(2)12-13-20-18-11-7-6-10-17(18)14-19(20)16-8-4-3-5-9-16/h3-11,14H,1,12-13H2,2H3
InChIKeyQBKNNFDMBHVJTM-UHFFFAOYSA-N
MW261.37 g/mol
LogP5.27
Rot. Bonds4

About 1-(3-methylbut-3-enyl)-2-phenylindole

1-(3-methylbut-3-enyl)-2-phenylindole (PubChem CID 114476740) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(3-methylbut-3-enyl)-2-phenylindole.

Molecular Properties

Compound Name1-(3-methylbut-3-enyl)-2-phenylindole
PubChem CID114476740
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name1-(3-methylbut-3-enyl)-2-phenylindole
SMILESC=C(C)CCn1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C19H19N/c1-15(2)12-13-20-18-11-7-6-10-17(18)14-19(20)16-8-4-3-5-9-16/h3-11,14H,1,12-13H2,2H3
InChIKeyQBKNNFDMBHVJTM-UHFFFAOYSA-N
XLogP5.27
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.27
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

1-phenyl-3-(2-phenylindol-1-yl)propan-1-one
CID 151018616
1-pentyl-2-phenylindole
CID 54214068
hydrogen sulfite;2-phenyl-1-propylindole
CID 121433978
4-(2-naphthalen-2-ylindol-1-yl)butan-2-one
CID 11370420
1-(3-methylbut-3-enyl)quinolin-2-one
CID 140970650
trifluoro-[(2-phenylindol-1-yl)methyl]boranuide
CID 63702309
benzene;1-methyl-2-phenylindole
CID 158316839
N,N,2-trimethyl-2-[[2-(2-phenylindol-1-yl)acetyl]amino]propanamide
CID 86899973
(3R)-1-[3-(2-phenylindol-1-yl)propanoyl]piperidine-3-carboxylic acid
CID 29133842
1-[(E)-3-chloroprop-2-enyl]-2-phenylindole
CID 116619067
1-methyl-2-(4-methylpent-4-enyl)indole
CID 71374623
1-butyl-2-(4-nitrophenyl)indole
CID 12654268

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-3-enyl)-2-phenylindole?
The IUPAC name of 1-(3-methylbut-3-enyl)-2-phenylindole (CID 114476740) is 1-(3-methylbut-3-enyl)-2-phenylindole.
What is the SMILES notation for 1-(3-methylbut-3-enyl)-2-phenylindole?
The canonical SMILES for 1-(3-methylbut-3-enyl)-2-phenylindole is C=C(C)CCn1c(-c2ccccc2)cc2ccccc21.
What is the InChIKey of 1-(3-methylbut-3-enyl)-2-phenylindole?
The InChIKey is QBKNNFDMBHVJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-15(2)12-13-20-18-11-7-6-10-17(18)14-19(20)16-8-4-3-5-9-16/h3-11,14H,1,12-13H2,2H3.
What are the key properties of 1-(3-methylbut-3-enyl)-2-phenylindole?
1-(3-methylbut-3-enyl)-2-phenylindole has a molecular weight of 261.37 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-3-enyl)-2-phenylindole is sourced from PubChem (CID 114476740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).