(2E)-2-(furan-2-ylmethylidene)butanal

C9H10O2 — CID 6435826

IUPAC(2E)-2-(furan-2-ylmethylidene)butanal
SMILESCC/C(C=O)=C\c1ccco1
InChIInChI=1S/C9H10O2/c1-2-8(7-10)6-9-4-3-5-11-9/h3-7H,2H2,1H3/b8-6+
InChIKeyUCPFCQBLYDXPTR-SOFGYWHQSA-N
MW150.18 g/mol
LogP2.27
Rot. Bonds3

About (2E)-2-(furan-2-ylmethylidene)butanal

(2E)-2-(furan-2-ylmethylidene)butanal (PubChem CID 6435826) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (2E)-2-(furan-2-ylmethylidene)butanal.

Molecular Properties

Compound Name(2E)-2-(furan-2-ylmethylidene)butanal
PubChem CID6435826
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(2E)-2-(furan-2-ylmethylidene)butanal
SMILESCC/C(C=O)=C\c1ccco1
InChIInChI=1S/C9H10O2/c1-2-8(7-10)6-9-4-3-5-11-9/h3-7H,2H2,1H3/b8-6+
InChIKeyUCPFCQBLYDXPTR-SOFGYWHQSA-N
XLogP2.27
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-bromo-3-(furan-2-yl)prop-2-enal
CID 14939228
(2E)-2-(furan-2-ylmethylidene)-3-methylbutanal
CID 82111259
2-[(5-methylfuran-2-yl)methylidene]butanal
CID 79331109
(Z)-3-(furan-2-yl)-2-methoxyprop-2-enal
CID 102492012
(Z)-3-(furan-2-yl)-2-[3-[hydroxy(dimethoxy)silyl]propoxymethyl]prop-2-enal
CID 174000333
CID 171374623
CID 171374623
(Z,2E)-2-(furan-2-ylmethylidene)-N-[(Z)-[(2Z)-2-(furan-2-ylmethylidene)heptylidene]amino]heptan-1-imine
CID 7408885
(2Z)-2-(furan-2-ylmethylidene)-3-oxobutanoic acid
CID 18595236
2-(furan-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine
CID 79329717
furan-2-carbaldehyde
CID 76972982
(Z)-3-(furan-2-yl)-2-nitroprop-2-enal
CID 59665521
3-(furan-2-yl)-2-methylprop-2-enal;heptanoic acid
CID 174912705

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(furan-2-ylmethylidene)butanal?
The IUPAC name of (2E)-2-(furan-2-ylmethylidene)butanal (CID 6435826) is (2E)-2-(furan-2-ylmethylidene)butanal.
What is the SMILES notation for (2E)-2-(furan-2-ylmethylidene)butanal?
The canonical SMILES for (2E)-2-(furan-2-ylmethylidene)butanal is CC/C(C=O)=C\c1ccco1.
What is the InChIKey of (2E)-2-(furan-2-ylmethylidene)butanal?
The InChIKey is UCPFCQBLYDXPTR-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H10O2/c1-2-8(7-10)6-9-4-3-5-11-9/h3-7H,2H2,1H3/b8-6+.
What are the key properties of (2E)-2-(furan-2-ylmethylidene)butanal?
(2E)-2-(furan-2-ylmethylidene)butanal has a molecular weight of 150.18 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(furan-2-ylmethylidene)butanal is sourced from PubChem (CID 6435826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).