(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoic acid

C12H9NO5 — CID 775891

IUPAC(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccco1)NC(=O)c1ccco1
InChIInChI=1S/C12H9NO5/c14-11(10-4-2-6-18-10)13-9(12(15)16)7-8-3-1-5-17-8/h1-7H,(H,13,14)(H,15,16)/b9-7+
InChIKeyGJTMOBINDWOQAV-VQHVLOKHSA-N
MW247.21 g/mol
LogP1.73
Rot. Bonds4

About (E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoic acid

(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoic acid (PubChem CID 775891) has the molecular formula C12H9NO5 and a molecular weight of 247.21 g/mol. Its IUPAC name is (E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoic acid
PubChem CID775891
Molecular FormulaC12H9NO5
Molecular Weight247.21 g/mol
Exact Mass247.05
IUPAC Name(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccco1)NC(=O)c1ccco1
InChIInChI=1S/C12H9NO5/c14-11(10-4-2-6-18-10)13-9(12(15)16)7-8-3-1-5-17-8/h1-7H,(H,13,14)(H,15,16)/b9-7+
InChIKeyGJTMOBINDWOQAV-VQHVLOKHSA-N
XLogP1.73
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoic acid?
The IUPAC name of (E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoic acid (CID 775891) is (E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoic acid?
The canonical SMILES for (E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoic acid is O=C(O)/C(=C\c1ccco1)NC(=O)c1ccco1.
What is the InChIKey of (E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoic acid?
The InChIKey is GJTMOBINDWOQAV-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H9NO5/c14-11(10-4-2-6-18-10)13-9(12(15)16)7-8-3-1-5-17-8/h1-7H,(H,13,14)(H,15,16)/b9-7+.
What are the key properties of (E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoic acid?
(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoic acid has a molecular weight of 247.21 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoic acid is sourced from PubChem (CID 775891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).