(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-spiro[2.5]octan-6-ylmethanone

C19H25NO2 — CID 166350560

IUPAC(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-spiro[2.5]octan-6-ylmethanone
SMILESCC1(C)CN(C(=O)C2CCC3(CC2)CC3)c2ccccc2O1
InChIInChI=1S/C19H25NO2/c1-18(2)13-20(15-5-3-4-6-16(15)22-18)17(21)14-7-9-19(10-8-14)11-12-19/h3-6,14H,7-13H2,1-2H3
InChIKeyFWSZZYYNRZIWGZ-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.16
Rot. Bonds1

About (2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-spiro[2.5]octan-6-ylmethanone

(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-spiro[2.5]octan-6-ylmethanone (PubChem CID 166350560) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-spiro[2.5]octan-6-ylmethanone.

Molecular Properties

Compound Name(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-spiro[2.5]octan-6-ylmethanone
PubChem CID166350560
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-spiro[2.5]octan-6-ylmethanone
SMILESCC1(C)CN(C(=O)C2CCC3(CC2)CC3)c2ccccc2O1
InChIInChI=1S/C19H25NO2/c1-18(2)13-20(15-5-3-4-6-16(15)22-18)17(21)14-7-9-19(10-8-14)11-12-19/h3-6,14H,7-13H2,1-2H3
InChIKeyFWSZZYYNRZIWGZ-UHFFFAOYSA-N
XLogP4.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone
CID 167969671
[3-(cyclopropylmethyl)cyclobutyl]-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone
CID 166350559
(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-spiro[2.2]pentan-2-ylmethanone
CID 128861364
(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-(2-fluorocyclopropyl)methanone
CID 167790059
3-cyclopropyl-1-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)propan-1-one
CID 166227152
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
3,4-dihydro-2H-chromen-3-yl-[2,2-dimethyl-6-(trifluoromethyl)-3H-1,4-benzoxazin-4-yl]methanone
CID 166272779
cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 110712921
(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone
CID 127907878
methyl (2S)-4-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 94014506
N-cyclopropyl-N,2,2-trimethyl-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 166302369

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-spiro[2.5]octan-6-ylmethanone?
The IUPAC name of (2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-spiro[2.5]octan-6-ylmethanone (CID 166350560) is (2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-spiro[2.5]octan-6-ylmethanone.
What is the SMILES notation for (2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-spiro[2.5]octan-6-ylmethanone?
The canonical SMILES for (2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-spiro[2.5]octan-6-ylmethanone is CC1(C)CN(C(=O)C2CCC3(CC2)CC3)c2ccccc2O1.
What is the InChIKey of (2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-spiro[2.5]octan-6-ylmethanone?
The InChIKey is FWSZZYYNRZIWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-18(2)13-20(15-5-3-4-6-16(15)22-18)17(21)14-7-9-19(10-8-14)11-12-19/h3-6,14H,7-13H2,1-2H3.
What are the key properties of (2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-spiro[2.5]octan-6-ylmethanone?
(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-spiro[2.5]octan-6-ylmethanone has a molecular weight of 299.41 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-spiro[2.5]octan-6-ylmethanone is sourced from PubChem (CID 166350560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).