4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole

C13H17N — CID 163580758

IUPAC4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole
SMILESC=C1Nc2cccc(C)c2C1C(C)C
InChIInChI=1S/C13H17N/c1-8(2)12-10(4)14-11-7-5-6-9(3)13(11)12/h5-8,12,14H,4H2,1-3H3
InChIKeyWWDXXGZUPQDKGT-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.67
Rot. Bonds1

About 4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole

4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole (PubChem CID 163580758) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole.

Molecular Properties

Compound Name4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole
PubChem CID163580758
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole
SMILESC=C1Nc2cccc(C)c2C1C(C)C
InChIInChI=1S/C13H17N/c1-8(2)12-10(4)14-11-7-5-6-9(3)13(11)12/h5-8,12,14H,4H2,1-3H3
InChIKeyWWDXXGZUPQDKGT-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole?
The IUPAC name of 4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole (CID 163580758) is 4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole.
What is the SMILES notation for 4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole?
The canonical SMILES for 4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole is C=C1Nc2cccc(C)c2C1C(C)C.
What is the InChIKey of 4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole?
The InChIKey is WWDXXGZUPQDKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-8(2)12-10(4)14-11-7-5-6-9(3)13(11)12/h5-8,12,14H,4H2,1-3H3.
What are the key properties of 4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole?
4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole has a molecular weight of 187.29 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole is sourced from PubChem (CID 163580758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).