3-(3-methylbut-2-en-2-yl)-3aH-indole

C13H15N — CID 145266324

IUPAC3-(3-methylbut-2-en-2-yl)-3aH-indole
SMILESCC(C)=C(C)C1=CN=C2C=CC=CC12
InChIInChI=1S/C13H15N/c1-9(2)10(3)12-8-14-13-7-5-4-6-11(12)13/h4-8,11H,1-3H3
InChIKeyLAMFWAQUBRQMDL-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.42
Rot. Bonds1

About 3-(3-methylbut-2-en-2-yl)-3aH-indole

3-(3-methylbut-2-en-2-yl)-3aH-indole (PubChem CID 145266324) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(3-methylbut-2-en-2-yl)-3aH-indole.

Molecular Properties

Compound Name3-(3-methylbut-2-en-2-yl)-3aH-indole
PubChem CID145266324
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name3-(3-methylbut-2-en-2-yl)-3aH-indole
SMILESCC(C)=C(C)C1=CN=C2C=CC=CC12
InChIInChI=1S/C13H15N/c1-9(2)10(3)12-8-14-13-7-5-4-6-11(12)13/h4-8,11H,1-3H3
InChIKeyLAMFWAQUBRQMDL-UHFFFAOYSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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7-methyl-7H-indole
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1,4-di(propan-2-yl)-6H-cyclopenta[c]pyridine
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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-2-en-2-yl)-3aH-indole?
The IUPAC name of 3-(3-methylbut-2-en-2-yl)-3aH-indole (CID 145266324) is 3-(3-methylbut-2-en-2-yl)-3aH-indole.
What is the SMILES notation for 3-(3-methylbut-2-en-2-yl)-3aH-indole?
The canonical SMILES for 3-(3-methylbut-2-en-2-yl)-3aH-indole is CC(C)=C(C)C1=CN=C2C=CC=CC12.
What is the InChIKey of 3-(3-methylbut-2-en-2-yl)-3aH-indole?
The InChIKey is LAMFWAQUBRQMDL-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/h4-8,11H,1-3H3.
What are the key properties of 3-(3-methylbut-2-en-2-yl)-3aH-indole?
3-(3-methylbut-2-en-2-yl)-3aH-indole has a molecular weight of 185.27 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-2-en-2-yl)-3aH-indole is sourced from PubChem (CID 145266324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).