spiro[4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine-3,1'-cyclopentane]

C15H19NO2 — CID 62517000

IUPACspiro[4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine-3,1'-cyclopentane]
SMILESc1ccc2c(c1)OCC1NC3(CCCC3)COC21
InChIInChI=1S/C15H19NO2/c1-2-6-13-11(5-1)14-12(9-17-13)16-15(10-18-14)7-3-4-8-15/h1-2,5-6,12,14,16H,3-4,7-10H2
InChIKeyWYCDZWWMXYSNJC-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.42
Rot. Bonds

About spiro[4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine-3,1'-cyclopentane]

spiro[4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine-3,1'-cyclopentane] (PubChem CID 62517000) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is spiro[4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine-3,1'-cyclopentane].

Molecular Properties

Compound Namespiro[4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine-3,1'-cyclopentane]
PubChem CID62517000
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namespiro[4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine-3,1'-cyclopentane]
SMILESc1ccc2c(c1)OCC1NC3(CCCC3)COC21
InChIInChI=1S/C15H19NO2/c1-2-6-13-11(5-1)14-12(9-17-13)16-15(10-18-14)7-3-4-8-15/h1-2,5-6,12,14,16H,3-4,7-10H2
InChIKeyWYCDZWWMXYSNJC-UHFFFAOYSA-N
XLogP2.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze spiro[4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine-3,1'-cyclopentane] with MolForge

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Related Compounds

3,3-diethyl-4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine
CID 62519492
6,6-dimethylspiro[4,4a,5,10b-tetrahydro-2H-benzo[h][1,4]benzoxazine-3,1'-cyclohexane]
CID 62522506
spiro[3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene-5,1'-cyclohexane]
CID 62520727
bis((4aS)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazine);(4aR)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazine;(4aR)-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]chromene
CID 164976071
4-(2,3-dihydro-1-benzofuran-3-yl)-1,4-diazaspiro[5.5]undecane
CID 64954431
3,3-di(propan-2-yl)-4,4a,5,10b-tetrahydro-2H-pyrano[3,2-c]chromene
CID 154595139
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine
CID 80604001
N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 45088771
2,3-dihydro-1-benzofuran-3-ol
CID 585896
3-iodo-2,3-dihydro-1-benzofuran
CID 154708354
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
9,11-dimethyl-6,6a,7,12a-tetrahydrochromeno[4,3-b][1,4]benzoxazine
CID 115825640

Frequently Asked Questions

What is the IUPAC name of spiro[4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine-3,1'-cyclopentane]?
The IUPAC name of spiro[4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine-3,1'-cyclopentane] (CID 62517000) is spiro[4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine-3,1'-cyclopentane].
What is the SMILES notation for spiro[4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine-3,1'-cyclopentane]?
The canonical SMILES for spiro[4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine-3,1'-cyclopentane] is c1ccc2c(c1)OCC1NC3(CCCC3)COC21.
What is the InChIKey of spiro[4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine-3,1'-cyclopentane]?
The InChIKey is WYCDZWWMXYSNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-6-13-11(5-1)14-12(9-17-13)16-15(10-18-14)7-3-4-8-15/h1-2,5-6,12,14,16H,3-4,7-10H2.
What are the key properties of spiro[4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine-3,1'-cyclopentane]?
spiro[4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine-3,1'-cyclopentane] has a molecular weight of 245.32 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine-3,1'-cyclopentane] is sourced from PubChem (CID 62517000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).