phenyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone

C19H20N2O2 — CID 118740490

IUPACphenyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone
SMILESO=C(c1ccccc1)N1CC2(CCNC2)OCc2ccccc21
InChIInChI=1S/C19H20N2O2/c22-18(15-6-2-1-3-7-15)21-14-19(10-11-20-13-19)23-12-16-8-4-5-9-17(16)21/h1-9,20H,10-14H2
InChIKeyADGWAEMPYBIPRQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.60
Rot. Bonds1

About phenyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone

phenyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone (PubChem CID 118740490) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is phenyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone.

Molecular Properties

Compound Namephenyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone
PubChem CID118740490
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Namephenyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone
SMILESO=C(c1ccccc1)N1CC2(CCNC2)OCc2ccccc21
InChIInChI=1S/C19H20N2O2/c22-18(15-6-2-1-3-7-15)21-14-19(10-11-20-13-19)23-12-16-8-4-5-9-17(16)21/h1-9,20H,10-14H2
InChIKeyADGWAEMPYBIPRQ-UHFFFAOYSA-N
XLogP2.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(o-Carboxyphenyl)-2-oxo-1-phenyl-4-pyrrolidinecarboxamide
CID 217791
[2-(Methylamino)-2-oxoethyl] 2-anilinobenzoate
CID 2420011
[1-(2,3-Dihydroindol-1-yl)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 16392702
N-[4-(2,3-Dihydro-5H-benzo[e][1,4]oxazepine-1-carbonyl)-phenyl]-2-methyl-benzamide
CID 10762739
2-Amino-benzoic acid 2-(2,3-dihydro-indol-1-yl)-2-oxo-ethyl ester
CID 1089231
2-(Benzylamino)-2-oxoethyl 2-(phenylamino)benzoate
CID 2389541
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate
CID 7603220
N-(4-morpholin-2-ylphenyl)benzamide
CID 67032637
US11401270, Example 39
CID 142566888
Ethyl 2-{[(5-oxo-1-phenyl-3-pyrrolidinyl)carbonyl]amino}benzoate
CID 2927043
Ethyl 2-[(1-cyclohexyl-5-oxopyrrolidin-3-yl)carbonylamino]benzoate
CID 2988687
[2-(4-Fluoroanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 4794390

Frequently Asked Questions

What is the IUPAC name of phenyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone?
The IUPAC name of phenyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone (CID 118740490) is phenyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone.
What is the SMILES notation for phenyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone?
The canonical SMILES for phenyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone is O=C(c1ccccc1)N1CC2(CCNC2)OCc2ccccc21.
What is the InChIKey of phenyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone?
The InChIKey is ADGWAEMPYBIPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-18(15-6-2-1-3-7-15)21-14-19(10-11-20-13-19)23-12-16-8-4-5-9-17(16)21/h1-9,20H,10-14H2.
What are the key properties of phenyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone?
phenyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone has a molecular weight of 308.38 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone is sourced from PubChem (CID 118740490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).