5-[2-(5-methylfuran-2-yl)ethenyl]furan-2-carbaldehyde

C12H10O3 — CID 71371005

IUPAC5-[2-(5-methylfuran-2-yl)ethenyl]furan-2-carbaldehyde
SMILESCc1ccc(C=Cc2ccc(C=O)o2)o1
InChIInChI=1S/C12H10O3/c1-9-2-3-10(14-9)4-5-11-6-7-12(8-13)15-11/h2-8H,1H3
InChIKeyBMJLDDQKPAZFBX-UHFFFAOYSA-N
MW202.21 g/mol
LogP3.16
Rot. Bonds3

About 5-[2-(5-methylfuran-2-yl)ethenyl]furan-2-carbaldehyde

5-[2-(5-methylfuran-2-yl)ethenyl]furan-2-carbaldehyde (PubChem CID 71371005) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-[2-(5-methylfuran-2-yl)ethenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(5-methylfuran-2-yl)ethenyl]furan-2-carbaldehyde
PubChem CID71371005
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name5-[2-(5-methylfuran-2-yl)ethenyl]furan-2-carbaldehyde
SMILESCc1ccc(C=Cc2ccc(C=O)o2)o1
InChIInChI=1S/C12H10O3/c1-9-2-3-10(14-9)4-5-11-6-7-12(8-13)15-11/h2-8H,1H3
InChIKeyBMJLDDQKPAZFBX-UHFFFAOYSA-N
XLogP3.16
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-methylfuran-2-yl)ethenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-(5-methylfuran-2-yl)ethenyl]furan-2-carbaldehyde (CID 71371005) is 5-[2-(5-methylfuran-2-yl)ethenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-(5-methylfuran-2-yl)ethenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-(5-methylfuran-2-yl)ethenyl]furan-2-carbaldehyde is Cc1ccc(C=Cc2ccc(C=O)o2)o1.
What is the InChIKey of 5-[2-(5-methylfuran-2-yl)ethenyl]furan-2-carbaldehyde?
The InChIKey is BMJLDDQKPAZFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-9-2-3-10(14-9)4-5-11-6-7-12(8-13)15-11/h2-8H,1H3.
What are the key properties of 5-[2-(5-methylfuran-2-yl)ethenyl]furan-2-carbaldehyde?
5-[2-(5-methylfuran-2-yl)ethenyl]furan-2-carbaldehyde has a molecular weight of 202.21 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-methylfuran-2-yl)ethenyl]furan-2-carbaldehyde is sourced from PubChem (CID 71371005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).