(1Z)-1-ethylidene-2-methyl-3-methylideneisoindole

C12H13N — CID 137397306

IUPAC(1Z)-1-ethylidene-2-methyl-3-methylideneisoindole
SMILESC=c1c2ccccc2/c(=C/C)n1C
InChIInChI=1S/C12H13N/c1-4-12-11-8-6-5-7-10(11)9(2)13(12)3/h4-8H,2H2,1,3H3/b12-4-
InChIKeyCMWPLKAHOJQUBK-QCDXTXTGSA-N
MW171.24 g/mol
LogP1.39
Rot. Bonds

About (1Z)-1-ethylidene-2-methyl-3-methylideneisoindole

(1Z)-1-ethylidene-2-methyl-3-methylideneisoindole (PubChem CID 137397306) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is (1Z)-1-ethylidene-2-methyl-3-methylideneisoindole.

Molecular Properties

Compound Name(1Z)-1-ethylidene-2-methyl-3-methylideneisoindole
PubChem CID137397306
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name(1Z)-1-ethylidene-2-methyl-3-methylideneisoindole
SMILESC=c1c2ccccc2/c(=C/C)n1C
InChIInChI=1S/C12H13N/c1-4-12-11-8-6-5-7-10(11)9(2)13(12)3/h4-8H,2H2,1,3H3/b12-4-
InChIKeyCMWPLKAHOJQUBK-QCDXTXTGSA-N
XLogP1.39
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-ethylidene-2-methyl-3-methylideneisoindole?
The IUPAC name of (1Z)-1-ethylidene-2-methyl-3-methylideneisoindole (CID 137397306) is (1Z)-1-ethylidene-2-methyl-3-methylideneisoindole.
What is the SMILES notation for (1Z)-1-ethylidene-2-methyl-3-methylideneisoindole?
The canonical SMILES for (1Z)-1-ethylidene-2-methyl-3-methylideneisoindole is C=c1c2ccccc2/c(=C/C)n1C.
What is the InChIKey of (1Z)-1-ethylidene-2-methyl-3-methylideneisoindole?
The InChIKey is CMWPLKAHOJQUBK-QCDXTXTGSA-N. The full InChI is InChI=1S/C12H13N/c1-4-12-11-8-6-5-7-10(11)9(2)13(12)3/h4-8H,2H2,1,3H3/b12-4-.
What are the key properties of (1Z)-1-ethylidene-2-methyl-3-methylideneisoindole?
(1Z)-1-ethylidene-2-methyl-3-methylideneisoindole has a molecular weight of 171.24 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-ethylidene-2-methyl-3-methylideneisoindole is sourced from PubChem (CID 137397306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).