2-[[5-[2-[5-(2-oxoethyliminomethyl)furan-2-yl]ethyl]furan-2-yl]methylideneamino]acetaldehyde

C16H16N2O4 — CID 91153864

IUPAC2-[[5-[2-[5-(2-oxoethyliminomethyl)furan-2-yl]ethyl]furan-2-yl]methylideneamino]acetaldehyde
SMILESO=CC/N=C/c1ccc(CCc2ccc(/C=N/CC=O)o2)o1
InChIInChI=1S/C16H16N2O4/c19-9-7-17-11-15-5-3-13(21-15)1-2-14-4-6-16(22-14)12-18-8-10-20/h3-6,9-12H,1-2,7-8H2/b17-11+,18-12+
InChIKeySZXMAMBAZAEKBV-JYFOCSDGSA-N
MW300.31 g/mol
LogP1.89
Rot. Bonds9

About 2-[[5-[2-[5-(2-oxoethyliminomethyl)furan-2-yl]ethyl]furan-2-yl]methylideneamino]acetaldehyde

2-[[5-[2-[5-(2-oxoethyliminomethyl)furan-2-yl]ethyl]furan-2-yl]methylideneamino]acetaldehyde (PubChem CID 91153864) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[[5-[2-[5-(2-oxoethyliminomethyl)furan-2-yl]ethyl]furan-2-yl]methylideneamino]acetaldehyde.

Molecular Properties

Compound Name2-[[5-[2-[5-(2-oxoethyliminomethyl)furan-2-yl]ethyl]furan-2-yl]methylideneamino]acetaldehyde
PubChem CID91153864
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-[[5-[2-[5-(2-oxoethyliminomethyl)furan-2-yl]ethyl]furan-2-yl]methylideneamino]acetaldehyde
SMILESO=CC/N=C/c1ccc(CCc2ccc(/C=N/CC=O)o2)o1
InChIInChI=1S/C16H16N2O4/c19-9-7-17-11-15-5-3-13(21-15)1-2-14-4-6-16(22-14)12-18-8-10-20/h3-6,9-12H,1-2,7-8H2/b17-11+,18-12+
InChIKeySZXMAMBAZAEKBV-JYFOCSDGSA-N
XLogP1.89
TPSA85.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-[5-(2-oxoethyliminomethyl)furan-2-yl]ethyl]furan-2-yl]methylideneamino]acetaldehyde?
The IUPAC name of 2-[[5-[2-[5-(2-oxoethyliminomethyl)furan-2-yl]ethyl]furan-2-yl]methylideneamino]acetaldehyde (CID 91153864) is 2-[[5-[2-[5-(2-oxoethyliminomethyl)furan-2-yl]ethyl]furan-2-yl]methylideneamino]acetaldehyde.
What is the SMILES notation for 2-[[5-[2-[5-(2-oxoethyliminomethyl)furan-2-yl]ethyl]furan-2-yl]methylideneamino]acetaldehyde?
The canonical SMILES for 2-[[5-[2-[5-(2-oxoethyliminomethyl)furan-2-yl]ethyl]furan-2-yl]methylideneamino]acetaldehyde is O=CC/N=C/c1ccc(CCc2ccc(/C=N/CC=O)o2)o1.
What is the InChIKey of 2-[[5-[2-[5-(2-oxoethyliminomethyl)furan-2-yl]ethyl]furan-2-yl]methylideneamino]acetaldehyde?
The InChIKey is SZXMAMBAZAEKBV-JYFOCSDGSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-9-7-17-11-15-5-3-13(21-15)1-2-14-4-6-16(22-14)12-18-8-10-20/h3-6,9-12H,1-2,7-8H2/b17-11+,18-12+.
What are the key properties of 2-[[5-[2-[5-(2-oxoethyliminomethyl)furan-2-yl]ethyl]furan-2-yl]methylideneamino]acetaldehyde?
2-[[5-[2-[5-(2-oxoethyliminomethyl)furan-2-yl]ethyl]furan-2-yl]methylideneamino]acetaldehyde has a molecular weight of 300.31 g/mol, XLogP of 1.89, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-[5-(2-oxoethyliminomethyl)furan-2-yl]ethyl]furan-2-yl]methylideneamino]acetaldehyde is sourced from PubChem (CID 91153864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).