1-(2-methylbut-3-en-2-yl)-2,3-dihydroindole

C13H17N — CID 11458144

IUPAC1-(2-methylbut-3-en-2-yl)-2,3-dihydroindole
SMILESC=CC(C)(C)N1CCc2ccccc21
InChIInChI=1S/C13H17N/c1-4-13(2,3)14-10-9-11-7-5-6-8-12(11)14/h4-8H,1,9-10H2,2-3H3
InChIKeyLTIVTZXQRFJFSK-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.01
Rot. Bonds2

About 1-(2-methylbut-3-en-2-yl)-2,3-dihydroindole

1-(2-methylbut-3-en-2-yl)-2,3-dihydroindole (PubChem CID 11458144) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-(2-methylbut-3-en-2-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2-methylbut-3-en-2-yl)-2,3-dihydroindole
PubChem CID11458144
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-(2-methylbut-3-en-2-yl)-2,3-dihydroindole
SMILESC=CC(C)(C)N1CCc2ccccc21
InChIInChI=1S/C13H17N/c1-4-13(2,3)14-10-9-11-7-5-6-8-12(11)14/h4-8H,1,9-10H2,2-3H3
InChIKeyLTIVTZXQRFJFSK-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.01
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

N-Ethyl-N-benzylaniline
CID 7098
Indoline
CID 10328
N,N-diethyl-m-toluidine
CID 66679
1-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one
CID 27673
1,3,3-Trimethyl-2-methyleneindoline
CID 8351
N,N,2-Trimethylaniline
CID 11869
2-Methylindoline
CID 23305
Histapyrrodine
CID 68122
Benzenamine, N,N-diethyl-2-methyl-
CID 69075
N,N-diethyl-p-toluidine
CID 69177
N-Methyl-N-phenylbenzylamine
CID 69191
1,3-Dihydro-1-methyl-2H-indole-2-thione
CID 26156

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbut-3-en-2-yl)-2,3-dihydroindole?
The IUPAC name of 1-(2-methylbut-3-en-2-yl)-2,3-dihydroindole (CID 11458144) is 1-(2-methylbut-3-en-2-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-(2-methylbut-3-en-2-yl)-2,3-dihydroindole?
The canonical SMILES for 1-(2-methylbut-3-en-2-yl)-2,3-dihydroindole is C=CC(C)(C)N1CCc2ccccc21.
What is the InChIKey of 1-(2-methylbut-3-en-2-yl)-2,3-dihydroindole?
The InChIKey is LTIVTZXQRFJFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-4-13(2,3)14-10-9-11-7-5-6-8-12(11)14/h4-8H,1,9-10H2,2-3H3.
What are the key properties of 1-(2-methylbut-3-en-2-yl)-2,3-dihydroindole?
1-(2-methylbut-3-en-2-yl)-2,3-dihydroindole has a molecular weight of 187.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbut-3-en-2-yl)-2,3-dihydroindole is sourced from PubChem (CID 11458144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).