spiro[3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene-5,1'-cyclohexane]

C18H25NO — CID 62520727

IUPACspiro[3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene-5,1'-cyclohexane]
SMILESc1ccc2c(c1)CCCC1NC3(CCCCC3)COC21
InChIInChI=1S/C18H25NO/c1-4-11-18(12-5-1)13-20-17-15-9-3-2-7-14(15)8-6-10-16(17)19-18/h2-3,7,9,16-17,19H,1,4-6,8,10-13H2
InChIKeyIVUWPHLSRZZCMW-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.76
Rot. Bonds

About spiro[3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene-5,1'-cyclohexane]

spiro[3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene-5,1'-cyclohexane] (PubChem CID 62520727) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is spiro[3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene-5,1'-cyclohexane].

Molecular Properties

Compound Namespiro[3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene-5,1'-cyclohexane]
PubChem CID62520727
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Namespiro[3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene-5,1'-cyclohexane]
SMILESc1ccc2c(c1)CCCC1NC3(CCCCC3)COC21
InChIInChI=1S/C18H25NO/c1-4-11-18(12-5-1)13-20-17-15-9-3-2-7-14(15)8-6-10-16(17)19-18/h2-3,7,9,16-17,19H,1,4-6,8,10-13H2
InChIKeyIVUWPHLSRZZCMW-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze spiro[3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene-5,1'-cyclohexane] with MolForge

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Related Compounds

6,6-dimethylspiro[4,4a,5,10b-tetrahydro-2H-benzo[h][1,4]benzoxazine-3,1'-cyclohexane]
CID 62522506
spiro[4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine-3,1'-cyclopentane]
CID 62517000
(2S)-2-[(1S)-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]pyrrolidine
CID 122456694
1-(1-phenylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 173460746
4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazaspiro[5.5]undecane
CID 64952967
spiro[3,4,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-2,1'-cyclopentane]
CID 65102288
2-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane
CID 55111676
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptan-1-amine
CID 55243443
2-(3,4-dihydro-1H-isochromen-1-yl)azetidine;sulfane
CID 145138544
2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
CID 13350945
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
CID 59863888
CID 59863888

Frequently Asked Questions

What is the IUPAC name of spiro[3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene-5,1'-cyclohexane]?
The IUPAC name of spiro[3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene-5,1'-cyclohexane] (CID 62520727) is spiro[3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene-5,1'-cyclohexane].
What is the SMILES notation for spiro[3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene-5,1'-cyclohexane]?
The canonical SMILES for spiro[3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene-5,1'-cyclohexane] is c1ccc2c(c1)CCCC1NC3(CCCCC3)COC21.
What is the InChIKey of spiro[3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene-5,1'-cyclohexane]?
The InChIKey is IVUWPHLSRZZCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-4-11-18(12-5-1)13-20-17-15-9-3-2-7-14(15)8-6-10-16(17)19-18/h2-3,7,9,16-17,19H,1,4-6,8,10-13H2.
What are the key properties of spiro[3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene-5,1'-cyclohexane]?
spiro[3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene-5,1'-cyclohexane] has a molecular weight of 271.40 g/mol, XLogP of 3.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene-5,1'-cyclohexane] is sourced from PubChem (CID 62520727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).