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

C15H15N3O3 — CID 43483117

IUPAC7-[furan-2-yl(methylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
SMILESCNC(c1ccc2c(c1)NC(=O)CC(=O)N2)c1ccco1
InChIInChI=1S/C15H15N3O3/c1-16-15(12-3-2-6-21-12)9-4-5-10-11(7-9)18-14(20)8-13(19)17-10/h2-7,15-16H,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyUHOLXPXBIUZBCQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.87
Rot. Bonds3

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

7-[furan-2-yl(methylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione (PubChem CID 43483117) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 7-[furan-2-yl(methylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione.

Molecular Properties

Compound Name7-[furan-2-yl(methylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
PubChem CID43483117
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name7-[furan-2-yl(methylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
SMILESCNC(c1ccc2c(c1)NC(=O)CC(=O)N2)c1ccco1
InChIInChI=1S/C15H15N3O3/c1-16-15(12-3-2-6-21-12)9-4-5-10-11(7-9)18-14(20)8-13(19)17-10/h2-7,15-16H,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyUHOLXPXBIUZBCQ-UHFFFAOYSA-N
XLogP1.87
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.87
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

7-[furan-2-yl(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43487004
7-[amino(furan-2-yl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 43464418
7-[furan-2-yl(hydroxy)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 61086743
6-[furan-2-yl(methylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 43486043
molecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 176993371
5-[furan-3-yl(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484758
(1R)-1-(furan-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 90212494
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 107293623
5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one
CID 65151696
5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484803
5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484817
1-dibenzofuran-2-yl-1-(furan-2-yl)-N-methylmethanamine
CID 43482139

Frequently Asked Questions

What is the IUPAC name of 7-[furan-2-yl(methylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The IUPAC name of 7-[furan-2-yl(methylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione (CID 43483117) is 7-[furan-2-yl(methylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione.
What is the SMILES notation for 7-[furan-2-yl(methylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The canonical SMILES for 7-[furan-2-yl(methylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione is CNC(c1ccc2c(c1)NC(=O)CC(=O)N2)c1ccco1.
What is the InChIKey of 7-[furan-2-yl(methylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The InChIKey is UHOLXPXBIUZBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-16-15(12-3-2-6-21-12)9-4-5-10-11(7-9)18-14(20)8-13(19)17-10/h2-7,15-16H,8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 7-[furan-2-yl(methylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
7-[furan-2-yl(methylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione has a molecular weight of 285.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[furan-2-yl(methylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione is sourced from PubChem (CID 43483117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).