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

C18H24N2O2 — CID 118740488

IUPACcyclopentyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone
SMILESO=C(C1CCCC1)N1CC2(CCNC2)OCc2ccccc21
InChIInChI=1S/C18H24N2O2/c21-17(14-5-1-2-6-14)20-13-18(9-10-19-12-18)22-11-15-7-3-4-8-16(15)20/h3-4,7-8,14,19H,1-2,5-6,9-13H2
InChIKeyNIDVFOYEWZOUQH-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.47
Rot. Bonds1

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

cyclopentyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone (PubChem CID 118740488) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is cyclopentyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone.

Molecular Properties

Compound Namecyclopentyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone
PubChem CID118740488
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Namecyclopentyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone
SMILESO=C(C1CCCC1)N1CC2(CCNC2)OCc2ccccc21
InChIInChI=1S/C18H24N2O2/c21-17(14-5-1-2-6-14)20-13-18(9-10-19-12-18)22-11-15-7-3-4-8-16(15)20/h3-4,7-8,14,19H,1-2,5-6,9-13H2
InChIKeyNIDVFOYEWZOUQH-UHFFFAOYSA-N
XLogP2.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone?
The IUPAC name of cyclopentyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone (CID 118740488) is cyclopentyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone.
What is the SMILES notation for cyclopentyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone?
The canonical SMILES for cyclopentyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone is O=C(C1CCCC1)N1CC2(CCNC2)OCc2ccccc21.
What is the InChIKey of cyclopentyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone?
The InChIKey is NIDVFOYEWZOUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-17(14-5-1-2-6-14)20-13-18(9-10-19-12-18)22-11-15-7-3-4-8-16(15)20/h3-4,7-8,14,19H,1-2,5-6,9-13H2.
What are the key properties of cyclopentyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone?
cyclopentyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone has a molecular weight of 300.40 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(spiro[2,5-dihydro-4,1-benzoxazepine-3,3'-pyrrolidine]-1-yl)methanone is sourced from PubChem (CID 118740488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).