(Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoic acid

C14H9NO3 — CID 787027

IUPAC(Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoic acid
SMILESN#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)O
InChIInChI=1S/C14H9NO3/c15-9-11(14(16)17)8-12-6-7-13(18-12)10-4-2-1-3-5-10/h1-8H,(H,16,17)/b11-8-
InChIKeyOAFGPPNLCPRGSM-FLIBITNWSA-N
MW239.23 g/mol
LogP2.94
Rot. Bonds3

About (Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoic acid

(Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoic acid (PubChem CID 787027) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is (Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoic acid
PubChem CID787027
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name(Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoic acid
SMILESN#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)O
InChIInChI=1S/C14H9NO3/c15-9-11(14(16)17)8-12-6-7-13(18-12)10-4-2-1-3-5-10/h1-8H,(H,16,17)/b11-8-
InChIKeyOAFGPPNLCPRGSM-FLIBITNWSA-N
XLogP2.94
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.94
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'}

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Related Compounds

(Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 726345
2-cyano-3-(5-phenylfuran-2-yl)-N-prop-2-enylprop-2-enamide
CID 4710196
(Z)-2-cyano-N-cyclopentyl-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 124925368
(E)-2-cyano-3-[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]prop-2-enoic acid
CID 50884174
(E)-2-cyano-N-(2-ethylphenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 18863339
2-cyano-3-[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]prop-2-enoic acid
CID 2869887
(E)-2-cyano-N-(3,4-dichlorophenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 18863623
3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide
CID 796826
4-[5-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 6067734
(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-phenylprop-2-enamide
CID 18863272
3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 2866324
(E)-N-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 18863892

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoic acid?
The IUPAC name of (Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoic acid (CID 787027) is (Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoic acid is N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)O.
What is the InChIKey of (Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoic acid?
The InChIKey is OAFGPPNLCPRGSM-FLIBITNWSA-N. The full InChI is InChI=1S/C14H9NO3/c15-9-11(14(16)17)8-12-6-7-13(18-12)10-4-2-1-3-5-10/h1-8H,(H,16,17)/b11-8-.
What are the key properties of (Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoic acid?
(Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoic acid has a molecular weight of 239.23 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoic acid is sourced from PubChem (CID 787027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).