4-methyl-3-methylidene-1,2,3a,7a-tetrahydroisoindole

C10H13N — CID 134492848

IUPAC4-methyl-3-methylidene-1,2,3a,7a-tetrahydroisoindole
SMILESC=C1NCC2C=CC=C(C)C12
InChIInChI=1S/C10H13N/c1-7-4-3-5-9-6-11-8(2)10(7)9/h3-5,9-11H,2,6H2,1H3
InChIKeyOKLMIAOTLBZHRS-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.85
Rot. Bonds

About 4-methyl-3-methylidene-1,2,3a,7a-tetrahydroisoindole

4-methyl-3-methylidene-1,2,3a,7a-tetrahydroisoindole (PubChem CID 134492848) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 4-methyl-3-methylidene-1,2,3a,7a-tetrahydroisoindole.

Molecular Properties

Compound Name4-methyl-3-methylidene-1,2,3a,7a-tetrahydroisoindole
PubChem CID134492848
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name4-methyl-3-methylidene-1,2,3a,7a-tetrahydroisoindole
SMILESC=C1NCC2C=CC=C(C)C12
InChIInChI=1S/C10H13N/c1-7-4-3-5-9-6-11-8(2)10(7)9/h3-5,9-11H,2,6H2,1H3
InChIKeyOKLMIAOTLBZHRS-UHFFFAOYSA-N
XLogP1.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-methylidene-1,2,3a,7a-tetrahydroisoindole?
The IUPAC name of 4-methyl-3-methylidene-1,2,3a,7a-tetrahydroisoindole (CID 134492848) is 4-methyl-3-methylidene-1,2,3a,7a-tetrahydroisoindole.
What is the SMILES notation for 4-methyl-3-methylidene-1,2,3a,7a-tetrahydroisoindole?
The canonical SMILES for 4-methyl-3-methylidene-1,2,3a,7a-tetrahydroisoindole is C=C1NCC2C=CC=C(C)C12.
What is the InChIKey of 4-methyl-3-methylidene-1,2,3a,7a-tetrahydroisoindole?
The InChIKey is OKLMIAOTLBZHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-7-4-3-5-9-6-11-8(2)10(7)9/h3-5,9-11H,2,6H2,1H3.
What are the key properties of 4-methyl-3-methylidene-1,2,3a,7a-tetrahydroisoindole?
4-methyl-3-methylidene-1,2,3a,7a-tetrahydroisoindole has a molecular weight of 147.22 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylidene-1,2,3a,7a-tetrahydroisoindole is sourced from PubChem (CID 134492848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).