1,3-dimethyl-2-methylidene-3H-indole

C11H13N — CID 3018251

IUPAC1,3-dimethyl-2-methylidene-3H-indole
SMILESC=C1C(C)c2ccccc2N1C
InChIInChI=1S/C11H13N/c1-8-9(2)12(3)11-7-5-4-6-10(8)11/h4-8H,2H2,1,3H3
InChIKeyXYKUJMLDHFKSIA-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.75
Rot. Bonds

About 1,3-dimethyl-2-methylidene-3H-indole

1,3-dimethyl-2-methylidene-3H-indole (PubChem CID 3018251) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 1,3-dimethyl-2-methylidene-3H-indole.

Molecular Properties

Compound Name1,3-dimethyl-2-methylidene-3H-indole
PubChem CID3018251
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name1,3-dimethyl-2-methylidene-3H-indole
SMILESC=C1C(C)c2ccccc2N1C
InChIInChI=1S/C11H13N/c1-8-9(2)12(3)11-7-5-4-6-10(8)11/h4-8H,2H2,1,3H3
InChIKeyXYKUJMLDHFKSIA-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-methylidene-3H-indole?
The IUPAC name of 1,3-dimethyl-2-methylidene-3H-indole (CID 3018251) is 1,3-dimethyl-2-methylidene-3H-indole.
What is the SMILES notation for 1,3-dimethyl-2-methylidene-3H-indole?
The canonical SMILES for 1,3-dimethyl-2-methylidene-3H-indole is C=C1C(C)c2ccccc2N1C.
What is the InChIKey of 1,3-dimethyl-2-methylidene-3H-indole?
The InChIKey is XYKUJMLDHFKSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-8-9(2)12(3)11-7-5-4-6-10(8)11/h4-8H,2H2,1,3H3.
What are the key properties of 1,3-dimethyl-2-methylidene-3H-indole?
1,3-dimethyl-2-methylidene-3H-indole has a molecular weight of 159.23 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-methylidene-3H-indole is sourced from PubChem (CID 3018251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).