1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-trien-8-ol

C14H19NO — CID 146840967

IUPAC1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-trien-8-ol
SMILESCC12CCNCC(C1)C(O)c1ccccc12
InChIInChI=1S/C14H19NO/c1-14-6-7-15-9-10(8-14)13(16)11-4-2-3-5-12(11)14/h2-5,10,13,15-16H,6-9H2,1H3
InChIKeySGCYTEFDAXDPDR-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.99
Rot. Bonds

About 1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-trien-8-ol

1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-trien-8-ol (PubChem CID 146840967) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-trien-8-ol.

Molecular Properties

Compound Name1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-trien-8-ol
PubChem CID146840967
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-trien-8-ol
SMILESCC12CCNCC(C1)C(O)c1ccccc12
InChIInChI=1S/C14H19NO/c1-14-6-7-15-9-10(8-14)13(16)11-4-2-3-5-12(11)14/h2-5,10,13,15-16H,6-9H2,1H3
InChIKeySGCYTEFDAXDPDR-UHFFFAOYSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol
CID 131859580
(1R)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
CID 3058308
1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrobromide
CID 20834073
3-(2-bromophenyl)-3-methylpyrrolidine
CID 62354169
1-cyclohexyl-2-(1-methylcyclopentyl)benzene
CID 54179575
(1S,2S)-3-amino-3-methyl-1,2-dihydroindene-1,2-diol;hydrochloride
CID 162316189
(15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol
CID 125495959
5-(2-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane
CID 106824891
3-(2-methoxyphenyl)-3-methylpyrrolidine
CID 62354573
ethane;4-methyl-4-phenylpiperidine
CID 91476557
4-methyl-4-phenylazepane
CID 89410025
(3aR,9bS)-1-methylspiro[3,3a,4,9b-tetrahydro-2H-benzo[g]indole-5,4'-piperidine]
CID 67304505

Frequently Asked Questions

What is the IUPAC name of 1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-trien-8-ol?
The IUPAC name of 1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-trien-8-ol (CID 146840967) is 1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-trien-8-ol.
What is the SMILES notation for 1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-trien-8-ol?
The canonical SMILES for 1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-trien-8-ol is CC12CCNCC(C1)C(O)c1ccccc12.
What is the InChIKey of 1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-trien-8-ol?
The InChIKey is SGCYTEFDAXDPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14-6-7-15-9-10(8-14)13(16)11-4-2-3-5-12(11)14/h2-5,10,13,15-16H,6-9H2,1H3.
What are the key properties of 1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-trien-8-ol?
1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-trien-8-ol has a molecular weight of 217.31 g/mol, XLogP of 1.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-trien-8-ol is sourced from PubChem (CID 146840967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).