(2E,4E)-2-cyano-5-(furan-3-yl)penta-2,4-dienoic acid

C10H7NO3 — CID 19772724

IUPAC(2E,4E)-2-cyano-5-(furan-3-yl)penta-2,4-dienoic acid
SMILESN#C/C(=C\C=C\c1ccoc1)C(=O)O
InChIInChI=1S/C10H7NO3/c11-6-9(10(12)13)3-1-2-8-4-5-14-7-8/h1-5,7H,(H,12,13)/b2-1+,9-3+
InChIKeyNEAHHKRYUKGZPK-RJTULKDBSA-N
MW189.17 g/mol
LogP1.83
Rot. Bonds3

About (2E,4E)-2-cyano-5-(furan-3-yl)penta-2,4-dienoic acid

(2E,4E)-2-cyano-5-(furan-3-yl)penta-2,4-dienoic acid (PubChem CID 19772724) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is (2E,4E)-2-cyano-5-(furan-3-yl)penta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-2-cyano-5-(furan-3-yl)penta-2,4-dienoic acid
PubChem CID19772724
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name(2E,4E)-2-cyano-5-(furan-3-yl)penta-2,4-dienoic acid
SMILESN#C/C(=C\C=C\c1ccoc1)C(=O)O
InChIInChI=1S/C10H7NO3/c11-6-9(10(12)13)3-1-2-8-4-5-14-7-8/h1-5,7H,(H,12,13)/b2-1+,9-3+
InChIKeyNEAHHKRYUKGZPK-RJTULKDBSA-N
XLogP1.83
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3-(furan-3-yl)prop-2-enoic acid
CID 643403
ethyl (E)-2-cyano-3-(furan-3-yl)prop-2-enoate
CID 827758
2-Cyano-3-(furan-3-yl)prop-2-enoic acid
CID 67832415
(2E)-2-cyano-3-(furan-2-yl)prop-2-enoic acid
CID 1715166
tert-butyl (E)-2-cyano-3-(furan-3-yl)prop-2-enoate
CID 137635402
dodecyl (E)-2-cyano-3-(furan-3-yl)prop-2-enoate
CID 137638925
3-methylbutyl (E)-2-cyano-3-(furan-3-yl)prop-2-enoate
CID 137643169
cyclohexyl (E)-2-cyano-3-(furan-3-yl)prop-2-enoate
CID 137646506
2-Cyano-3-(furan-2-yl)prop-2-enoic acid
CID 236347
2-Cyano-3-(2-furyl)acrylic acid
CID 1550786
3-(Furan-3-yl)prop-2-enoic acid
CID 736315
(E)-ethyl 3-(furan-3-yl)acrylate
CID 10103508

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-cyano-5-(furan-3-yl)penta-2,4-dienoic acid?
The IUPAC name of (2E,4E)-2-cyano-5-(furan-3-yl)penta-2,4-dienoic acid (CID 19772724) is (2E,4E)-2-cyano-5-(furan-3-yl)penta-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-2-cyano-5-(furan-3-yl)penta-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-2-cyano-5-(furan-3-yl)penta-2,4-dienoic acid is N#C/C(=C\C=C\c1ccoc1)C(=O)O.
What is the InChIKey of (2E,4E)-2-cyano-5-(furan-3-yl)penta-2,4-dienoic acid?
The InChIKey is NEAHHKRYUKGZPK-RJTULKDBSA-N. The full InChI is InChI=1S/C10H7NO3/c11-6-9(10(12)13)3-1-2-8-4-5-14-7-8/h1-5,7H,(H,12,13)/b2-1+,9-3+.
What are the key properties of (2E,4E)-2-cyano-5-(furan-3-yl)penta-2,4-dienoic acid?
(2E,4E)-2-cyano-5-(furan-3-yl)penta-2,4-dienoic acid has a molecular weight of 189.17 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-cyano-5-(furan-3-yl)penta-2,4-dienoic acid is sourced from PubChem (CID 19772724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).