(2E)-2-(5,6,7-trimethoxy-2,3-dihydroinden-1-ylidene)ethanamine

C14H19NO3 — CID 59957008

IUPAC(2E)-2-(5,6,7-trimethoxy-2,3-dihydroinden-1-ylidene)ethanamine
SMILESCOc1cc2c(c(OC)c1OC)/C(=C/CN)CC2
InChIInChI=1S/C14H19NO3/c1-16-11-8-10-5-4-9(6-7-15)12(10)14(18-3)13(11)17-2/h6,8H,4-5,7,15H2,1-3H3/b9-6+
InChIKeyVYZMZZUIMHOIBE-RMKNXTFCSA-N
MW249.31 g/mol
LogP2.00
Rot. Bonds4

About (2E)-2-(5,6,7-trimethoxy-2,3-dihydroinden-1-ylidene)ethanamine

(2E)-2-(5,6,7-trimethoxy-2,3-dihydroinden-1-ylidene)ethanamine (PubChem CID 59957008) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2E)-2-(5,6,7-trimethoxy-2,3-dihydroinden-1-ylidene)ethanamine.

Molecular Properties

Compound Name(2E)-2-(5,6,7-trimethoxy-2,3-dihydroinden-1-ylidene)ethanamine
PubChem CID59957008
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2E)-2-(5,6,7-trimethoxy-2,3-dihydroinden-1-ylidene)ethanamine
SMILESCOc1cc2c(c(OC)c1OC)/C(=C/CN)CC2
InChIInChI=1S/C14H19NO3/c1-16-11-8-10-5-4-9(6-7-15)12(10)14(18-3)13(11)17-2/h6,8H,4-5,7,15H2,1-3H3/b9-6+
InChIKeyVYZMZZUIMHOIBE-RMKNXTFCSA-N
XLogP2.00
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(5,6,7-trimethoxy-2,3-dihydroinden-1-ylidene)ethanamine?
The IUPAC name of (2E)-2-(5,6,7-trimethoxy-2,3-dihydroinden-1-ylidene)ethanamine (CID 59957008) is (2E)-2-(5,6,7-trimethoxy-2,3-dihydroinden-1-ylidene)ethanamine.
What is the SMILES notation for (2E)-2-(5,6,7-trimethoxy-2,3-dihydroinden-1-ylidene)ethanamine?
The canonical SMILES for (2E)-2-(5,6,7-trimethoxy-2,3-dihydroinden-1-ylidene)ethanamine is COc1cc2c(c(OC)c1OC)/C(=C/CN)CC2.
What is the InChIKey of (2E)-2-(5,6,7-trimethoxy-2,3-dihydroinden-1-ylidene)ethanamine?
The InChIKey is VYZMZZUIMHOIBE-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H19NO3/c1-16-11-8-10-5-4-9(6-7-15)12(10)14(18-3)13(11)17-2/h6,8H,4-5,7,15H2,1-3H3/b9-6+.
What are the key properties of (2E)-2-(5,6,7-trimethoxy-2,3-dihydroinden-1-ylidene)ethanamine?
(2E)-2-(5,6,7-trimethoxy-2,3-dihydroinden-1-ylidene)ethanamine has a molecular weight of 249.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(5,6,7-trimethoxy-2,3-dihydroinden-1-ylidene)ethanamine is sourced from PubChem (CID 59957008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).