4-methyl-3-prop-1-en-2-yl-1H-indole

C12H13N — CID 143884090

IUPAC4-methyl-3-prop-1-en-2-yl-1H-indole
SMILESC=C(C)c1c[nH]c2cccc(C)c12
InChIInChI=1S/C12H13N/c1-8(2)10-7-13-11-6-4-5-9(3)12(10)11/h4-7,13H,1H2,2-3H3
InChIKeyBOTGZARAQPRNDI-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.51
Rot. Bonds1

About 4-methyl-3-prop-1-en-2-yl-1H-indole

4-methyl-3-prop-1-en-2-yl-1H-indole (PubChem CID 143884090) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-methyl-3-prop-1-en-2-yl-1H-indole.

Molecular Properties

Compound Name4-methyl-3-prop-1-en-2-yl-1H-indole
PubChem CID143884090
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name4-methyl-3-prop-1-en-2-yl-1H-indole
SMILESC=C(C)c1c[nH]c2cccc(C)c12
InChIInChI=1S/C12H13N/c1-8(2)10-7-13-11-6-4-5-9(3)12(10)11/h4-7,13H,1H2,2-3H3
InChIKeyBOTGZARAQPRNDI-UHFFFAOYSA-N
XLogP3.51
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one
CID 43163357
1-(4-methyl-1H-indol-3-yl)-2-phenylethane-1,2-dione
CID 135028802
3,4-dimethyl-1H-indole;ethane
CID 143293593
1-(4-methyl-1H-indol-3-yl)pentan-1-one
CID 43163359
(4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43341896
propane;4-prop-1-en-2-yl-1H-indole-3-thiol
CID 143564482
(4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
CID 84691957
1-(4-methyl-1H-indol-3-yl)propan-2-one
CID 28806622
(3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 81472357
2-(2-chlorophenyl)-1-(4-methyl-1H-indol-3-yl)ethanone
CID 43163365
(2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 107949775
4-methyl-3-propan-2-yl-1H-indole
CID 123915873

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-prop-1-en-2-yl-1H-indole?
The IUPAC name of 4-methyl-3-prop-1-en-2-yl-1H-indole (CID 143884090) is 4-methyl-3-prop-1-en-2-yl-1H-indole.
What is the SMILES notation for 4-methyl-3-prop-1-en-2-yl-1H-indole?
The canonical SMILES for 4-methyl-3-prop-1-en-2-yl-1H-indole is C=C(C)c1c[nH]c2cccc(C)c12.
What is the InChIKey of 4-methyl-3-prop-1-en-2-yl-1H-indole?
The InChIKey is BOTGZARAQPRNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-8(2)10-7-13-11-6-4-5-9(3)12(10)11/h4-7,13H,1H2,2-3H3.
What are the key properties of 4-methyl-3-prop-1-en-2-yl-1H-indole?
4-methyl-3-prop-1-en-2-yl-1H-indole has a molecular weight of 171.24 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-prop-1-en-2-yl-1H-indole is sourced from PubChem (CID 143884090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).