furan-2-yl-(3-phenylazepan-1-yl)methanone

C17H19NO2 — CID 90608497

IUPACfuran-2-yl-(3-phenylazepan-1-yl)methanone
SMILESO=C(c1ccco1)N1CCCCC(c2ccccc2)C1
InChIInChI=1S/C17H19NO2/c19-17(16-10-6-12-20-16)18-11-5-4-9-15(13-18)14-7-2-1-3-8-14/h1-3,6-8,10,12,15H,4-5,9,11,13H2
InChIKeyMYPDIAWWXCBKTC-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.69
Rot. Bonds2

About furan-2-yl-(3-phenylazepan-1-yl)methanone

furan-2-yl-(3-phenylazepan-1-yl)methanone (PubChem CID 90608497) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is furan-2-yl-(3-phenylazepan-1-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(3-phenylazepan-1-yl)methanone
PubChem CID90608497
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namefuran-2-yl-(3-phenylazepan-1-yl)methanone
SMILESO=C(c1ccco1)N1CCCCC(c2ccccc2)C1
InChIInChI=1S/C17H19NO2/c19-17(16-10-6-12-20-16)18-11-5-4-9-15(13-18)14-7-2-1-3-8-14/h1-3,6-8,10,12,15H,4-5,9,11,13H2
InChIKeyMYPDIAWWXCBKTC-UHFFFAOYSA-N
XLogP3.69
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
[3-(3-bromophenyl)piperidin-1-yl]-(furan-2-yl)methanone
CID 84609797
azepan-1-yl(furan-2-yl)methanone
CID 5200992
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 99855360
furan-2-yl-(3-phenoxypiperidin-1-yl)methanone
CID 110605371
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide
CID 131927041
3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608490
phenyl-[2-(3-phenylazepane-1-carbonyl)phenyl]methanone
CID 121130874

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(3-phenylazepan-1-yl)methanone?
The IUPAC name of furan-2-yl-(3-phenylazepan-1-yl)methanone (CID 90608497) is furan-2-yl-(3-phenylazepan-1-yl)methanone.
What is the SMILES notation for furan-2-yl-(3-phenylazepan-1-yl)methanone?
The canonical SMILES for furan-2-yl-(3-phenylazepan-1-yl)methanone is O=C(c1ccco1)N1CCCCC(c2ccccc2)C1.
What is the InChIKey of furan-2-yl-(3-phenylazepan-1-yl)methanone?
The InChIKey is MYPDIAWWXCBKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-17(16-10-6-12-20-16)18-11-5-4-9-15(13-18)14-7-2-1-3-8-14/h1-3,6-8,10,12,15H,4-5,9,11,13H2.
What are the key properties of furan-2-yl-(3-phenylazepan-1-yl)methanone?
furan-2-yl-(3-phenylazepan-1-yl)methanone has a molecular weight of 269.34 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(3-phenylazepan-1-yl)methanone is sourced from PubChem (CID 90608497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).