1-methyl-3-methylidene-1,2-dihydroisoindole

C10H11N — CID 135173491

IUPAC1-methyl-3-methylidene-1,2-dihydroisoindole
SMILESC=C1NC(C)c2ccccc21
InChIInChI=1S/C10H11N/c1-7-9-5-3-4-6-10(9)8(2)11-7/h3-6,8,11H,1H2,2H3
InChIKeyMIFIEACCUJRBNH-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.32
Rot. Bonds

About 1-methyl-3-methylidene-1,2-dihydroisoindole

1-methyl-3-methylidene-1,2-dihydroisoindole (PubChem CID 135173491) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-methyl-3-methylidene-1,2-dihydroisoindole.

Molecular Properties

Compound Name1-methyl-3-methylidene-1,2-dihydroisoindole
PubChem CID135173491
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name1-methyl-3-methylidene-1,2-dihydroisoindole
SMILESC=C1NC(C)c2ccccc21
InChIInChI=1S/C10H11N/c1-7-9-5-3-4-6-10(9)8(2)11-7/h3-6,8,11H,1H2,2H3
InChIKeyMIFIEACCUJRBNH-UHFFFAOYSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylidene-1,2-dihydroisoindole?
The IUPAC name of 1-methyl-3-methylidene-1,2-dihydroisoindole (CID 135173491) is 1-methyl-3-methylidene-1,2-dihydroisoindole.
What is the SMILES notation for 1-methyl-3-methylidene-1,2-dihydroisoindole?
The canonical SMILES for 1-methyl-3-methylidene-1,2-dihydroisoindole is C=C1NC(C)c2ccccc21.
What is the InChIKey of 1-methyl-3-methylidene-1,2-dihydroisoindole?
The InChIKey is MIFIEACCUJRBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-7-9-5-3-4-6-10(9)8(2)11-7/h3-6,8,11H,1H2,2H3.
What are the key properties of 1-methyl-3-methylidene-1,2-dihydroisoindole?
1-methyl-3-methylidene-1,2-dihydroisoindole has a molecular weight of 145.20 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylidene-1,2-dihydroisoindole is sourced from PubChem (CID 135173491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).