(Z)-3-[6-(methylamino)-1-benzofuran-7-yl]prop-2-enal

C12H11NO2 — CID 169119722

IUPAC(Z)-3-[6-(methylamino)-1-benzofuran-7-yl]prop-2-enal
SMILESCNc1ccc2ccoc2c1/C=C\C=O
InChIInChI=1S/C12H11NO2/c1-13-11-5-4-9-6-8-15-12(9)10(11)3-2-7-14/h2-8,13H,1H3/b3-2-
InChIKeyUJYYOYDYSBFFMB-IHWYPQMZSA-N
MW201.22 g/mol
LogP2.69
Rot. Bonds3

About (Z)-3-[6-(methylamino)-1-benzofuran-7-yl]prop-2-enal

(Z)-3-[6-(methylamino)-1-benzofuran-7-yl]prop-2-enal (PubChem CID 169119722) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is (Z)-3-[6-(methylamino)-1-benzofuran-7-yl]prop-2-enal.

Molecular Properties

Compound Name(Z)-3-[6-(methylamino)-1-benzofuran-7-yl]prop-2-enal
PubChem CID169119722
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name(Z)-3-[6-(methylamino)-1-benzofuran-7-yl]prop-2-enal
SMILESCNc1ccc2ccoc2c1/C=C\C=O
InChIInChI=1S/C12H11NO2/c1-13-11-5-4-9-6-8-15-12(9)10(11)3-2-7-14/h2-8,13H,1H3/b3-2-
InChIKeyUJYYOYDYSBFFMB-IHWYPQMZSA-N
XLogP2.69
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[6-(methylamino)-1-benzofuran-7-yl]prop-2-enal?
The IUPAC name of (Z)-3-[6-(methylamino)-1-benzofuran-7-yl]prop-2-enal (CID 169119722) is (Z)-3-[6-(methylamino)-1-benzofuran-7-yl]prop-2-enal.
What is the SMILES notation for (Z)-3-[6-(methylamino)-1-benzofuran-7-yl]prop-2-enal?
The canonical SMILES for (Z)-3-[6-(methylamino)-1-benzofuran-7-yl]prop-2-enal is CNc1ccc2ccoc2c1/C=C\C=O.
What is the InChIKey of (Z)-3-[6-(methylamino)-1-benzofuran-7-yl]prop-2-enal?
The InChIKey is UJYYOYDYSBFFMB-IHWYPQMZSA-N. The full InChI is InChI=1S/C12H11NO2/c1-13-11-5-4-9-6-8-15-12(9)10(11)3-2-7-14/h2-8,13H,1H3/b3-2-.
What are the key properties of (Z)-3-[6-(methylamino)-1-benzofuran-7-yl]prop-2-enal?
(Z)-3-[6-(methylamino)-1-benzofuran-7-yl]prop-2-enal has a molecular weight of 201.22 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[6-(methylamino)-1-benzofuran-7-yl]prop-2-enal is sourced from PubChem (CID 169119722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).