spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-8-ol

C13H17NO2 — CID 115097893

IUPACspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-8-ol
SMILESOc1cccc2c1OC1(CCCCC1)CN2
InChIInChI=1S/C13H17NO2/c15-11-6-4-5-10-12(11)16-13(9-14-10)7-2-1-3-8-13/h4-6,14-15H,1-3,7-9H2
InChIKeyWDPGASPSADTZAE-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.90
Rot. Bonds

About spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-8-ol

spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-8-ol (PubChem CID 115097893) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-8-ol.

Molecular Properties

Compound Namespiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-8-ol
PubChem CID115097893
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namespiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-8-ol
SMILESOc1cccc2c1OC1(CCCCC1)CN2
InChIInChI=1S/C13H17NO2/c15-11-6-4-5-10-12(11)16-13(9-14-10)7-2-1-3-8-13/h4-6,14-15H,1-3,7-9H2
InChIKeyWDPGASPSADTZAE-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-5-ol
CID 115097986
spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-7-ol
CID 115098139
spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclohexane]-7-carboxylic acid
CID 82377124
spiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopentane]-6-ol
CID 115099509
spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclopentane]
CID 82377337
1-oxa-3-azaspiro[4.5]decane-2-thione
CID 10236033
spiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclobutane]-6-ol
CID 115099268
6-(trifluoromethyl)spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopentane]
CID 81197670
(2S)-spiro[3,4-dihydrochromene-2,3'-piperidine]
CID 129406410
5-bromospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclobutane]
CID 115097313
5-hydroxyspiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one
CID 117103646
3,3-difluoro-1,2,4,5-tetrahydro-1-benzazepin-6-ol
CID 84721061

Frequently Asked Questions

What is the IUPAC name of spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-8-ol?
The IUPAC name of spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-8-ol (CID 115097893) is spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-8-ol.
What is the SMILES notation for spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-8-ol?
The canonical SMILES for spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-8-ol is Oc1cccc2c1OC1(CCCCC1)CN2.
What is the InChIKey of spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-8-ol?
The InChIKey is WDPGASPSADTZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-11-6-4-5-10-12(11)16-13(9-14-10)7-2-1-3-8-13/h4-6,14-15H,1-3,7-9H2.
What are the key properties of spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-8-ol?
spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-8-ol has a molecular weight of 219.28 g/mol, XLogP of 2.90, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-8-ol is sourced from PubChem (CID 115097893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).