cyclopentyl-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone

C16H21NO2 — CID 167969671

IUPACcyclopentyl-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone
SMILESCC1(C)CN(C(=O)C2CCCC2)c2ccccc2O1
InChIInChI=1S/C16H21NO2/c1-16(2)11-17(15(18)12-7-3-4-8-12)13-9-5-6-10-14(13)19-16/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3
InChIKeyJAEHKFMYADWCKP-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.38
Rot. Bonds1

About cyclopentyl-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone

cyclopentyl-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone (PubChem CID 167969671) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is cyclopentyl-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone
PubChem CID167969671
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Namecyclopentyl-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone
SMILESCC1(C)CN(C(=O)C2CCCC2)c2ccccc2O1
InChIInChI=1S/C16H21NO2/c1-16(2)11-17(15(18)12-7-3-4-8-12)13-9-5-6-10-14(13)19-16/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3
InChIKeyJAEHKFMYADWCKP-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-spiro[2.5]octan-6-ylmethanone
CID 166350560
[3-(cyclopropylmethyl)cyclobutyl]-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone
CID 166350559
(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-(2-fluorocyclopropyl)methanone
CID 167790059
(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-spiro[2.2]pentan-2-ylmethanone
CID 128861364
3-cyclopropyl-1-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)propan-1-one
CID 166227152
cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 110712921
cyclohexyl-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 8944781
4-chloro-1-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)pent-4-en-1-one
CID 166389612
2-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide
CID 167943287
cyclopentyl-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 71901442
3,4-dihydro-2H-chromen-3-yl-[2,2-dimethyl-6-(trifluoromethyl)-3H-1,4-benzoxazin-4-yl]methanone
CID 166272779
(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone
CID 127907878

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of cyclopentyl-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone (CID 167969671) is cyclopentyl-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for cyclopentyl-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for cyclopentyl-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone is CC1(C)CN(C(=O)C2CCCC2)c2ccccc2O1.
What is the InChIKey of cyclopentyl-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone?
The InChIKey is JAEHKFMYADWCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-16(2)11-17(15(18)12-7-3-4-8-12)13-9-5-6-10-14(13)19-16/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3.
What are the key properties of cyclopentyl-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone?
cyclopentyl-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone has a molecular weight of 259.35 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 167969671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).