7-[furan-2-yl(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

C16H18N2O2 — CID 43487004

IUPAC7-[furan-2-yl(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCNC(c1ccc2c(c1)CCCC(=O)N2)c1ccco1
InChIInChI=1S/C16H18N2O2/c1-17-16(14-5-3-9-20-14)12-7-8-13-11(10-12)4-2-6-15(19)18-13/h3,5,7-10,16-17H,2,4,6H2,1H3,(H,18,19)
InChIKeyHFODMMWLVMMZPE-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.86
Rot. Bonds3

About 7-[furan-2-yl(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

7-[furan-2-yl(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 43487004) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 7-[furan-2-yl(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-[furan-2-yl(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID43487004
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name7-[furan-2-yl(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCNC(c1ccc2c(c1)CCCC(=O)N2)c1ccco1
InChIInChI=1S/C16H18N2O2/c1-17-16(14-5-3-9-20-14)12-7-8-13-11(10-12)4-2-6-15(19)18-13/h3,5,7-10,16-17H,2,4,6H2,1H3,(H,18,19)
InChIKeyHFODMMWLVMMZPE-UHFFFAOYSA-N
XLogP2.86
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[chloro(furan-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61085451
7-[furan-2-yl(methylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 43483117
7-[(2-bromofuran-3-yl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 106851590
6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61086798
6-[(3-chlorophenyl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43483923
6-[(2,5-dimethylfuran-3-yl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43483885
7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82759360
7-[1-(methylamino)heptyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 114752371
7-[methylamino(oxan-3-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 63012708
7-[chloro(phenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61086259
7-(1-bromopropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61098978
7-[bromo-(4-methylphenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61096772

Frequently Asked Questions

What is the IUPAC name of 7-[furan-2-yl(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-[furan-2-yl(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 43487004) is 7-[furan-2-yl(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-[furan-2-yl(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-[furan-2-yl(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is CNC(c1ccc2c(c1)CCCC(=O)N2)c1ccco1.
What is the InChIKey of 7-[furan-2-yl(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is HFODMMWLVMMZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-17-16(14-5-3-9-20-14)12-7-8-13-11(10-12)4-2-6-15(19)18-13/h3,5,7-10,16-17H,2,4,6H2,1H3,(H,18,19).
What are the key properties of 7-[furan-2-yl(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-[furan-2-yl(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 270.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[furan-2-yl(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 43487004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).