7-[furan-2-yl(hydroxy)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione

C14H12N2O4 — CID 61086743

IUPAC7-[furan-2-yl(hydroxy)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
SMILESO=C1CC(=O)Nc2cc(C(O)c3ccco3)ccc2N1
InChIInChI=1S/C14H12N2O4/c17-12-7-13(18)16-10-6-8(3-4-9(10)15-12)14(19)11-2-1-5-20-11/h1-6,14,19H,7H2,(H,15,17)(H,16,18)
InChIKeyFFRKAQMBINTRHV-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.64
Rot. Bonds2

About 7-[furan-2-yl(hydroxy)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione

7-[furan-2-yl(hydroxy)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione (PubChem CID 61086743) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 7-[furan-2-yl(hydroxy)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione.

Molecular Properties

Compound Name7-[furan-2-yl(hydroxy)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
PubChem CID61086743
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name7-[furan-2-yl(hydroxy)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
SMILESO=C1CC(=O)Nc2cc(C(O)c3ccco3)ccc2N1
InChIInChI=1S/C14H12N2O4/c17-12-7-13(18)16-10-6-8(3-4-9(10)15-12)14(19)11-2-1-5-20-11/h1-6,14,19H,7H2,(H,15,17)(H,16,18)
InChIKeyFFRKAQMBINTRHV-UHFFFAOYSA-N
XLogP1.64
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61086798
7-[amino(furan-2-yl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 43464418
7-[furan-2-yl(methylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 43483117
7-[hydroxy-(3-methylthiophen-2-yl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 61089554
molecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 176993371
7-(1-hydroxyheptyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 114753375
8-ethyl-6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174009
7-[amino-(5-bromofuran-2-yl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 43464423
5-[(5-ethylfuran-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 79096703
7-[chloro(furan-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61085451
5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61088889
5-[(2,6-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61086834

Frequently Asked Questions

What is the IUPAC name of 7-[furan-2-yl(hydroxy)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The IUPAC name of 7-[furan-2-yl(hydroxy)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione (CID 61086743) is 7-[furan-2-yl(hydroxy)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione.
What is the SMILES notation for 7-[furan-2-yl(hydroxy)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The canonical SMILES for 7-[furan-2-yl(hydroxy)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione is O=C1CC(=O)Nc2cc(C(O)c3ccco3)ccc2N1.
What is the InChIKey of 7-[furan-2-yl(hydroxy)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The InChIKey is FFRKAQMBINTRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-12-7-13(18)16-10-6-8(3-4-9(10)15-12)14(19)11-2-1-5-20-11/h1-6,14,19H,7H2,(H,15,17)(H,16,18).
What are the key properties of 7-[furan-2-yl(hydroxy)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
7-[furan-2-yl(hydroxy)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione has a molecular weight of 272.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[furan-2-yl(hydroxy)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione is sourced from PubChem (CID 61086743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).