(5R)-1'-benzyl-7,7-dimethylspiro[4,6-dihydro-1,2-benzoxazole-5,4'-pyrrolidine]-2'-one

C19H22N2O2 — CID 162442142

IUPAC(5R)-1'-benzyl-7,7-dimethylspiro[4,6-dihydro-1,2-benzoxazole-5,4'-pyrrolidine]-2'-one
SMILESCC1(C)C[C@]2(CC(=O)N(Cc3ccccc3)C2)Cc2cnoc21
InChIInChI=1S/C19H22N2O2/c1-18(2)12-19(8-15-10-20-23-17(15)18)9-16(22)21(13-19)11-14-6-4-3-5-7-14/h3-7,10H,8-9,11-13H2,1-2H3/t19-/m1/s1
InChIKeyTVIDQRSBCCGTHD-LJQANCHMSA-N
MW310.40 g/mol
LogP3.32
Rot. Bonds2

About (5R)-1'-benzyl-7,7-dimethylspiro[4,6-dihydro-1,2-benzoxazole-5,4'-pyrrolidine]-2'-one

(5R)-1'-benzyl-7,7-dimethylspiro[4,6-dihydro-1,2-benzoxazole-5,4'-pyrrolidine]-2'-one (PubChem CID 162442142) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (5R)-1'-benzyl-7,7-dimethylspiro[4,6-dihydro-1,2-benzoxazole-5,4'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name(5R)-1'-benzyl-7,7-dimethylspiro[4,6-dihydro-1,2-benzoxazole-5,4'-pyrrolidine]-2'-one
PubChem CID162442142
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(5R)-1'-benzyl-7,7-dimethylspiro[4,6-dihydro-1,2-benzoxazole-5,4'-pyrrolidine]-2'-one
SMILESCC1(C)C[C@]2(CC(=O)N(Cc3ccccc3)C2)Cc2cnoc21
InChIInChI=1S/C19H22N2O2/c1-18(2)12-19(8-15-10-20-23-17(15)18)9-16(22)21(13-19)11-14-6-4-3-5-7-14/h3-7,10H,8-9,11-13H2,1-2H3/t19-/m1/s1
InChIKeyTVIDQRSBCCGTHD-LJQANCHMSA-N
XLogP3.32
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R)-1'-benzyl-7,7-dimethylspiro[4,6-dihydro-1,2-benzoxazole-5,4'-pyrrolidine]-2'-one with MolForge

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Related Compounds

(4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one
CID 98042329
4-benzyl-2,2,7,7-tetramethyl-1,4-diazepan-5-one
CID 57087301
2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70746596
2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 70746319
2-benzyl-10-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131679025
3-benzyl-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
CID 100947193
2-benzyl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-8-carbonitrile
CID 118666320
(1S)-10-ethyl-1-methyl-8-phenyl-3-oxa-4,10-diazatricyclo[6.5.1.02,6]tetradeca-2(6),4-dien-9-one
CID 166820732
2-benzyl-9-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70756757
2-benzyl-8-[(5S)-3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97277141
(1R,3R)-3,12-diethyl-10-phenyl-5-oxa-6,12-diazatetracyclo[8.4.0.01,3.04,8]tetradeca-4(8),6-dien-11-one
CID 146248658
2-benzyl-8-[3-(1-methylpyrazol-4-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72847524

Frequently Asked Questions

What is the IUPAC name of (5R)-1'-benzyl-7,7-dimethylspiro[4,6-dihydro-1,2-benzoxazole-5,4'-pyrrolidine]-2'-one?
The IUPAC name of (5R)-1'-benzyl-7,7-dimethylspiro[4,6-dihydro-1,2-benzoxazole-5,4'-pyrrolidine]-2'-one (CID 162442142) is (5R)-1'-benzyl-7,7-dimethylspiro[4,6-dihydro-1,2-benzoxazole-5,4'-pyrrolidine]-2'-one.
What is the SMILES notation for (5R)-1'-benzyl-7,7-dimethylspiro[4,6-dihydro-1,2-benzoxazole-5,4'-pyrrolidine]-2'-one?
The canonical SMILES for (5R)-1'-benzyl-7,7-dimethylspiro[4,6-dihydro-1,2-benzoxazole-5,4'-pyrrolidine]-2'-one is CC1(C)C[C@]2(CC(=O)N(Cc3ccccc3)C2)Cc2cnoc21.
What is the InChIKey of (5R)-1'-benzyl-7,7-dimethylspiro[4,6-dihydro-1,2-benzoxazole-5,4'-pyrrolidine]-2'-one?
The InChIKey is TVIDQRSBCCGTHD-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-18(2)12-19(8-15-10-20-23-17(15)18)9-16(22)21(13-19)11-14-6-4-3-5-7-14/h3-7,10H,8-9,11-13H2,1-2H3/t19-/m1/s1.
What are the key properties of (5R)-1'-benzyl-7,7-dimethylspiro[4,6-dihydro-1,2-benzoxazole-5,4'-pyrrolidine]-2'-one?
(5R)-1'-benzyl-7,7-dimethylspiro[4,6-dihydro-1,2-benzoxazole-5,4'-pyrrolidine]-2'-one has a molecular weight of 310.40 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1'-benzyl-7,7-dimethylspiro[4,6-dihydro-1,2-benzoxazole-5,4'-pyrrolidine]-2'-one is sourced from PubChem (CID 162442142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).