(E)-2-[(3-methylidenefuran-2-yl)methyl]pent-2-enal

C11H14O2 — CID 89143185

IUPAC(E)-2-[(3-methylidenefuran-2-yl)methyl]pent-2-enal
SMILESC=C1C=COC1C/C(C=O)=C\CC
InChIInChI=1S/C11H14O2/c1-3-4-10(8-12)7-11-9(2)5-6-13-11/h4-6,8,11H,2-3,7H2,1H3/b10-4+
InChIKeyLMGOWWTZGDXUQX-ONNFQVAWSA-N
MW178.23 g/mol
LogP2.38
Rot. Bonds4

About (E)-2-[(3-methylidenefuran-2-yl)methyl]pent-2-enal

(E)-2-[(3-methylidenefuran-2-yl)methyl]pent-2-enal (PubChem CID 89143185) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (E)-2-[(3-methylidenefuran-2-yl)methyl]pent-2-enal.

Molecular Properties

Compound Name(E)-2-[(3-methylidenefuran-2-yl)methyl]pent-2-enal
PubChem CID89143185
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(E)-2-[(3-methylidenefuran-2-yl)methyl]pent-2-enal
SMILESC=C1C=COC1C/C(C=O)=C\CC
InChIInChI=1S/C11H14O2/c1-3-4-10(8-12)7-11-9(2)5-6-13-11/h4-6,8,11H,2-3,7H2,1H3/b10-4+
InChIKeyLMGOWWTZGDXUQX-ONNFQVAWSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of (E)-2-[(3-methylidenefuran-2-yl)methyl]pent-2-enal?
The IUPAC name of (E)-2-[(3-methylidenefuran-2-yl)methyl]pent-2-enal (CID 89143185) is (E)-2-[(3-methylidenefuran-2-yl)methyl]pent-2-enal.
What is the SMILES notation for (E)-2-[(3-methylidenefuran-2-yl)methyl]pent-2-enal?
The canonical SMILES for (E)-2-[(3-methylidenefuran-2-yl)methyl]pent-2-enal is C=C1C=COC1C/C(C=O)=C\CC.
What is the InChIKey of (E)-2-[(3-methylidenefuran-2-yl)methyl]pent-2-enal?
The InChIKey is LMGOWWTZGDXUQX-ONNFQVAWSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-4-10(8-12)7-11-9(2)5-6-13-11/h4-6,8,11H,2-3,7H2,1H3/b10-4+.
What are the key properties of (E)-2-[(3-methylidenefuran-2-yl)methyl]pent-2-enal?
(E)-2-[(3-methylidenefuran-2-yl)methyl]pent-2-enal has a molecular weight of 178.23 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(3-methylidenefuran-2-yl)methyl]pent-2-enal is sourced from PubChem (CID 89143185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).