(1E)-1-(2-methoxyindol-3-ylidene)-N,N-dimethylmethanamine

C12H14N2O — CID 1375900

IUPAC(1E)-1-(2-methoxyindol-3-ylidene)-N,N-dimethylmethanamine
SMILESCOC1=Nc2ccccc2/C1=C\N(C)C
InChIInChI=1S/C12H14N2O/c1-14(2)8-10-9-6-4-5-7-11(9)13-12(10)15-3/h4-8H,1-3H3/b10-8+
InChIKeyQNKUGDDHXMYMHC-CSKARUKUSA-N
MW202.26 g/mol
LogP2.28
Rot. Bonds1

About (1E)-1-(2-methoxyindol-3-ylidene)-N,N-dimethylmethanamine

(1E)-1-(2-methoxyindol-3-ylidene)-N,N-dimethylmethanamine (PubChem CID 1375900) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (1E)-1-(2-methoxyindol-3-ylidene)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name(1E)-1-(2-methoxyindol-3-ylidene)-N,N-dimethylmethanamine
PubChem CID1375900
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(1E)-1-(2-methoxyindol-3-ylidene)-N,N-dimethylmethanamine
SMILESCOC1=Nc2ccccc2/C1=C\N(C)C
InChIInChI=1S/C12H14N2O/c1-14(2)8-10-9-6-4-5-7-11(9)13-12(10)15-3/h4-8H,1-3H3/b10-8+
InChIKeyQNKUGDDHXMYMHC-CSKARUKUSA-N
XLogP2.28
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-(2-methoxyindol-3-ylidene)-N,N-dimethylmethanamine?
The IUPAC name of (1E)-1-(2-methoxyindol-3-ylidene)-N,N-dimethylmethanamine (CID 1375900) is (1E)-1-(2-methoxyindol-3-ylidene)-N,N-dimethylmethanamine.
What is the SMILES notation for (1E)-1-(2-methoxyindol-3-ylidene)-N,N-dimethylmethanamine?
The canonical SMILES for (1E)-1-(2-methoxyindol-3-ylidene)-N,N-dimethylmethanamine is COC1=Nc2ccccc2/C1=C\N(C)C.
What is the InChIKey of (1E)-1-(2-methoxyindol-3-ylidene)-N,N-dimethylmethanamine?
The InChIKey is QNKUGDDHXMYMHC-CSKARUKUSA-N. The full InChI is InChI=1S/C12H14N2O/c1-14(2)8-10-9-6-4-5-7-11(9)13-12(10)15-3/h4-8H,1-3H3/b10-8+.
What are the key properties of (1E)-1-(2-methoxyindol-3-ylidene)-N,N-dimethylmethanamine?
(1E)-1-(2-methoxyindol-3-ylidene)-N,N-dimethylmethanamine has a molecular weight of 202.26 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(2-methoxyindol-3-ylidene)-N,N-dimethylmethanamine is sourced from PubChem (CID 1375900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).