but-2-enedioic acid;1-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydroimidazole

C15H16N2O5 — CID 70436617

IUPACbut-2-enedioic acid;1-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydroimidazole
SMILESC1=NCCN1C1Cc2ccccc2O1.O=C(O)C=CC(=O)O
InChIInChI=1S/C11H12N2O.C4H4O4/c1-2-4-10-9(3-1)7-11(14-10)13-6-5-12-8-13;5-3(6)1-2-4(7)8/h1-4,8,11H,5-7H2;1-2H,(H,5,6)(H,7,8)
InChIKeySJNXQXDOZBFXDZ-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.00
Rot. Bonds3

About but-2-enedioic acid;1-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydroimidazole

but-2-enedioic acid;1-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydroimidazole (PubChem CID 70436617) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is but-2-enedioic acid;1-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydroimidazole.

Molecular Properties

Compound Namebut-2-enedioic acid;1-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydroimidazole
PubChem CID70436617
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Namebut-2-enedioic acid;1-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydroimidazole
SMILESC1=NCCN1C1Cc2ccccc2O1.O=C(O)C=CC(=O)O
InChIInChI=1S/C11H12N2O.C4H4O4/c1-2-4-10-9(3-1)7-11(14-10)13-6-5-12-8-13;5-3(6)1-2-4(7)8/h1-4,8,11H,5-7H2;1-2H,(H,5,6)(H,7,8)
InChIKeySJNXQXDOZBFXDZ-UHFFFAOYSA-N
XLogP1.00
TPSA99.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 but-2-enedioic acid;1-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydroimidazole?
The IUPAC name of but-2-enedioic acid;1-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydroimidazole (CID 70436617) is but-2-enedioic acid;1-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydroimidazole.
What is the SMILES notation for but-2-enedioic acid;1-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydroimidazole?
The canonical SMILES for but-2-enedioic acid;1-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydroimidazole is C1=NCCN1C1Cc2ccccc2O1.O=C(O)C=CC(=O)O.
What is the InChIKey of but-2-enedioic acid;1-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydroimidazole?
The InChIKey is SJNXQXDOZBFXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C4H4O4/c1-2-4-10-9(3-1)7-11(14-10)13-6-5-12-8-13;5-3(6)1-2-4(7)8/h1-4,8,11H,5-7H2;1-2H,(H,5,6)(H,7,8).
What are the key properties of but-2-enedioic acid;1-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydroimidazole?
but-2-enedioic acid;1-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydroimidazole has a molecular weight of 304.30 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enedioic acid;1-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydroimidazole is sourced from PubChem (CID 70436617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).