2-(furan-2-yl)pent-4-enal

C9H10O2 — CID 10558783

IUPAC2-(furan-2-yl)pent-4-enal
SMILESC=CCC(C=O)c1ccco1
InChIInChI=1S/C9H10O2/c1-2-4-8(7-10)9-5-3-6-11-9/h2-3,5-8H,1,4H2
InChIKeyWGDPVXCPZNTKFI-UHFFFAOYSA-N
MW150.18 g/mol
LogP2.14
Rot. Bonds4

About 2-(furan-2-yl)pent-4-enal

2-(furan-2-yl)pent-4-enal (PubChem CID 10558783) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(furan-2-yl)pent-4-enal.

Molecular Properties

Compound Name2-(furan-2-yl)pent-4-enal
PubChem CID10558783
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-(furan-2-yl)pent-4-enal
SMILESC=CCC(C=O)c1ccco1
InChIInChI=1S/C9H10O2/c1-2-4-8(7-10)9-5-3-6-11-9/h2-3,5-8H,1,4H2
InChIKeyWGDPVXCPZNTKFI-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
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

2-(furan-2-yl)tridecanal
CID 175449616
1-(furan-2-yl)-N-methylbut-3-en-1-amine
CID 62715262
3-(furan-2-yl)-4-hydroxybutanal
CID 135002248
2-(furan-2-yl)-3-methylbutanal
CID 579273
[(1R)-1-(furan-2-yl)but-3-enyl]-[(1S)-1-phenylethyl]azanium
CID 2430997
N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine
CID 43177064
1-(furan-2-yl)pent-4-en-2-amine
CID 116660416
(1R)-1-(furan-2-yl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine
CID 2430998
benzyl 3-(furan-2-yl)hex-5-enoate
CID 134916819
potassium;difluoro(prop-2-enyl)borane;furan-2-carbaldehyde;1-(furan-2-yl)but-3-en-1-amine;methane;fluoride
CID 160636547
1-(furan-2-yl)but-3-enyl pentadecanoate
CID 142804993
(4R)-4-[(1R)-1-(furan-2-yl)but-3-enyl]-2-phenyl-4-prop-2-enyl-1,3-oxazol-5-one
CID 56602008

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)pent-4-enal?
The IUPAC name of 2-(furan-2-yl)pent-4-enal (CID 10558783) is 2-(furan-2-yl)pent-4-enal.
What is the SMILES notation for 2-(furan-2-yl)pent-4-enal?
The canonical SMILES for 2-(furan-2-yl)pent-4-enal is C=CCC(C=O)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)pent-4-enal?
The InChIKey is WGDPVXCPZNTKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-2-4-8(7-10)9-5-3-6-11-9/h2-3,5-8H,1,4H2.
What are the key properties of 2-(furan-2-yl)pent-4-enal?
2-(furan-2-yl)pent-4-enal has a molecular weight of 150.18 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)pent-4-enal is sourced from PubChem (CID 10558783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).