(Z)-5-(furan-2-yl)pent-3-enal

C9H10O2 — CID 117268161

IUPAC(Z)-5-(furan-2-yl)pent-3-enal
SMILESO=CC/C=C\Cc1ccco1
InChIInChI=1S/C9H10O2/c10-7-3-1-2-5-9-6-4-8-11-9/h1-2,4,6-8H,3,5H2/b2-1-
InChIKeyDEOFYGIZMREDCT-UPHRSURJSA-N
MW150.18 g/mol
LogP1.97
Rot. Bonds4

About (Z)-5-(furan-2-yl)pent-3-enal

(Z)-5-(furan-2-yl)pent-3-enal (PubChem CID 117268161) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (Z)-5-(furan-2-yl)pent-3-enal.

Molecular Properties

Compound Name(Z)-5-(furan-2-yl)pent-3-enal
PubChem CID117268161
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(Z)-5-(furan-2-yl)pent-3-enal
SMILESO=CC/C=C\Cc1ccco1
InChIInChI=1S/C9H10O2/c10-7-3-1-2-5-9-6-4-8-11-9/h1-2,4,6-8H,3,5H2/b2-1-
InChIKeyDEOFYGIZMREDCT-UPHRSURJSA-N
XLogP1.97
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(furan-2-yl)but-2-en-1-amine
CID 70478448
2-(3-fluoroprop-2-enyl)furan
CID 175355088
2-[(E)-hex-2-enyl]furan
CID 13275150
(Z)-4-(furan-2-yl)-N-methylbut-2-en-1-amine
CID 117265852
3-(furan-2-yl)-N,N-dimethylprop-1-en-1-amine
CID 150615164
3-(furan-2-yl)prop-1-en-1-one
CID 22058153
3-(furan-2-yl)prop-1-enyl benzoate
CID 57083610
2-[5-(furan-2-yl)penta-1,3-dienyl]furan
CID 141170087
4-(furan-2-yl)butanal
CID 14455558
2-(furan-2-ylmethyl)prop-2-enal
CID 117266840
4-(furan-2-yl)-2-phenylbut-2-enal
CID 174960857
acetaldehyde;2-(chloromethyl)furan
CID 174376101

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(furan-2-yl)pent-3-enal?
The IUPAC name of (Z)-5-(furan-2-yl)pent-3-enal (CID 117268161) is (Z)-5-(furan-2-yl)pent-3-enal.
What is the SMILES notation for (Z)-5-(furan-2-yl)pent-3-enal?
The canonical SMILES for (Z)-5-(furan-2-yl)pent-3-enal is O=CC/C=C\Cc1ccco1.
What is the InChIKey of (Z)-5-(furan-2-yl)pent-3-enal?
The InChIKey is DEOFYGIZMREDCT-UPHRSURJSA-N. The full InChI is InChI=1S/C9H10O2/c10-7-3-1-2-5-9-6-4-8-11-9/h1-2,4,6-8H,3,5H2/b2-1-.
What are the key properties of (Z)-5-(furan-2-yl)pent-3-enal?
(Z)-5-(furan-2-yl)pent-3-enal has a molecular weight of 150.18 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(furan-2-yl)pent-3-enal is sourced from PubChem (CID 117268161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).