(5Z)-5-[(5-methylfuran-2-yl)methylidene]furan-2-one

C10H8O3 — CID 742120

IUPAC(5Z)-5-[(5-methylfuran-2-yl)methylidene]furan-2-one
SMILESCc1ccc(/C=C2/C=CC(=O)O2)o1
InChIInChI=1S/C10H8O3/c1-7-2-3-8(12-7)6-9-4-5-10(11)13-9/h2-6H,1H3/b9-6-
InChIKeyYBEWLMKRCGNUIO-TWGQIWQCSA-N
MW176.17 g/mol
LogP2.04
Rot. Bonds1

About (5Z)-5-[(5-methylfuran-2-yl)methylidene]furan-2-one

(5Z)-5-[(5-methylfuran-2-yl)methylidene]furan-2-one (PubChem CID 742120) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is (5Z)-5-[(5-methylfuran-2-yl)methylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-5-[(5-methylfuran-2-yl)methylidene]furan-2-one
PubChem CID742120
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name(5Z)-5-[(5-methylfuran-2-yl)methylidene]furan-2-one
SMILESCc1ccc(/C=C2/C=CC(=O)O2)o1
InChIInChI=1S/C10H8O3/c1-7-2-3-8(12-7)6-9-4-5-10(11)13-9/h2-6H,1H3/b9-6-
InChIKeyYBEWLMKRCGNUIO-TWGQIWQCSA-N
XLogP2.04
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-methylfuran-2-yl)methylidene]furan-2-one?
The IUPAC name of (5Z)-5-[(5-methylfuran-2-yl)methylidene]furan-2-one (CID 742120) is (5Z)-5-[(5-methylfuran-2-yl)methylidene]furan-2-one.
What is the SMILES notation for (5Z)-5-[(5-methylfuran-2-yl)methylidene]furan-2-one?
The canonical SMILES for (5Z)-5-[(5-methylfuran-2-yl)methylidene]furan-2-one is Cc1ccc(/C=C2/C=CC(=O)O2)o1.
What is the InChIKey of (5Z)-5-[(5-methylfuran-2-yl)methylidene]furan-2-one?
The InChIKey is YBEWLMKRCGNUIO-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H8O3/c1-7-2-3-8(12-7)6-9-4-5-10(11)13-9/h2-6H,1H3/b9-6-.
What are the key properties of (5Z)-5-[(5-methylfuran-2-yl)methylidene]furan-2-one?
(5Z)-5-[(5-methylfuran-2-yl)methylidene]furan-2-one has a molecular weight of 176.17 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-methylfuran-2-yl)methylidene]furan-2-one is sourced from PubChem (CID 742120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).