1,2-dimethyl-3-methylidene-7,7a-dihydro-1H-isoindole

C11H15N — CID 130409571

IUPAC1,2-dimethyl-3-methylidene-7,7a-dihydro-1H-isoindole
SMILESC=C1C2=CC=CCC2C(C)N1C
InChIInChI=1S/C11H15N/c1-8-10-6-4-5-7-11(10)9(2)12(8)3/h4-6,9,11H,1,7H2,2-3H3
InChIKeyNYGXRUXSZLXPTN-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.34
Rot. Bonds

About 1,2-dimethyl-3-methylidene-7,7a-dihydro-1H-isoindole

1,2-dimethyl-3-methylidene-7,7a-dihydro-1H-isoindole (PubChem CID 130409571) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1,2-dimethyl-3-methylidene-7,7a-dihydro-1H-isoindole.

Molecular Properties

Compound Name1,2-dimethyl-3-methylidene-7,7a-dihydro-1H-isoindole
PubChem CID130409571
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1,2-dimethyl-3-methylidene-7,7a-dihydro-1H-isoindole
SMILESC=C1C2=CC=CCC2C(C)N1C
InChIInChI=1S/C11H15N/c1-8-10-6-4-5-7-11(10)9(2)12(8)3/h4-6,9,11H,1,7H2,2-3H3
InChIKeyNYGXRUXSZLXPTN-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-methylidene-7,7a-dihydro-1H-isoindole?
The IUPAC name of 1,2-dimethyl-3-methylidene-7,7a-dihydro-1H-isoindole (CID 130409571) is 1,2-dimethyl-3-methylidene-7,7a-dihydro-1H-isoindole.
What is the SMILES notation for 1,2-dimethyl-3-methylidene-7,7a-dihydro-1H-isoindole?
The canonical SMILES for 1,2-dimethyl-3-methylidene-7,7a-dihydro-1H-isoindole is C=C1C2=CC=CCC2C(C)N1C.
What is the InChIKey of 1,2-dimethyl-3-methylidene-7,7a-dihydro-1H-isoindole?
The InChIKey is NYGXRUXSZLXPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-8-10-6-4-5-7-11(10)9(2)12(8)3/h4-6,9,11H,1,7H2,2-3H3.
What are the key properties of 1,2-dimethyl-3-methylidene-7,7a-dihydro-1H-isoindole?
1,2-dimethyl-3-methylidene-7,7a-dihydro-1H-isoindole has a molecular weight of 161.25 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-methylidene-7,7a-dihydro-1H-isoindole is sourced from PubChem (CID 130409571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).