3-(3-methylbut-1-en-2-yl)-1H-indole

C13H15N — CID 130016048

IUPAC3-(3-methylbut-1-en-2-yl)-1H-indole
SMILESC=C(c1c[nH]c2ccccc12)C(C)C
InChIInChI=1S/C13H15N/c1-9(2)10(3)12-8-14-13-7-5-4-6-11(12)13/h4-9,14H,3H2,1-2H3
InChIKeyRRBHMRWLQALJSX-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.84
Rot. Bonds2

About 3-(3-methylbut-1-en-2-yl)-1H-indole

3-(3-methylbut-1-en-2-yl)-1H-indole (PubChem CID 130016048) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(3-methylbut-1-en-2-yl)-1H-indole.

Molecular Properties

Compound Name3-(3-methylbut-1-en-2-yl)-1H-indole
PubChem CID130016048
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name3-(3-methylbut-1-en-2-yl)-1H-indole
SMILESC=C(c1c[nH]c2ccccc12)C(C)C
InChIInChI=1S/C13H15N/c1-9(2)10(3)12-8-14-13-7-5-4-6-11(12)13/h4-9,14H,3H2,1-2H3
InChIKeyRRBHMRWLQALJSX-UHFFFAOYSA-N
XLogP3.84
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-(1H-indol-3-yl)-N-methyl-1-(4-methylphenyl)prop-2-en-1-amine
CID 139374699
methyl 2-(1H-indol-3-yl)prop-2-enoate
CID 116843224
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
3-amino-1-(1H-indol-3-yl)butan-1-one
CID 116915601
2-chloro-1-(1H-indol-3-yl)-N-prop-1-en-2-ylprop-2-en-1-imine
CID 137083857
3-[(2R)-2,3-dimethylbut-3-enyl]-1H-indole;molecular hydrogen
CID 145378179
propan-2-yl 1H-indole-3-carboximidate
CID 174294951
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
3-(1-pyridin-2-ylethenyl)-1H-indole
CID 69191072
(E)-3-(1H-indol-3-yl)but-2-en-1-amine
CID 75355351
1-(1H-indol-3-yl)prop-2-en-1-one
CID 15122794

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-1-en-2-yl)-1H-indole?
The IUPAC name of 3-(3-methylbut-1-en-2-yl)-1H-indole (CID 130016048) is 3-(3-methylbut-1-en-2-yl)-1H-indole.
What is the SMILES notation for 3-(3-methylbut-1-en-2-yl)-1H-indole?
The canonical SMILES for 3-(3-methylbut-1-en-2-yl)-1H-indole is C=C(c1c[nH]c2ccccc12)C(C)C.
What is the InChIKey of 3-(3-methylbut-1-en-2-yl)-1H-indole?
The InChIKey is RRBHMRWLQALJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-9(2)10(3)12-8-14-13-7-5-4-6-11(12)13/h4-9,14H,3H2,1-2H3.
What are the key properties of 3-(3-methylbut-1-en-2-yl)-1H-indole?
3-(3-methylbut-1-en-2-yl)-1H-indole has a molecular weight of 185.27 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-1-en-2-yl)-1H-indole is sourced from PubChem (CID 130016048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).