1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-5-ol

C16H15NO — CID 13194169

IUPAC1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-5-ol
SMILESCC12NC(Cc3cc(O)ccc31)c1ccccc12
InChIInChI=1S/C16H15NO/c1-16-13-7-6-11(18)8-10(13)9-15(17-16)12-4-2-3-5-14(12)16/h2-8,15,17-18H,9H2,1H3
InChIKeyYFQXIMCPJVXWDV-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.86
Rot. Bonds

About 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-5-ol

1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-5-ol (PubChem CID 13194169) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-5-ol.

Molecular Properties

Compound Name1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-5-ol
PubChem CID13194169
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-5-ol
SMILESCC12NC(Cc3cc(O)ccc31)c1ccccc12
InChIInChI=1S/C16H15NO/c1-16-13-7-6-11(18)8-10(13)9-15(17-16)12-4-2-3-5-14(12)16/h2-8,15,17-18H,9H2,1H3
InChIKeyYFQXIMCPJVXWDV-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-5-ol?
The IUPAC name of 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-5-ol (CID 13194169) is 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-5-ol.
What is the SMILES notation for 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-5-ol?
The canonical SMILES for 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-5-ol is CC12NC(Cc3cc(O)ccc31)c1ccccc12.
What is the InChIKey of 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-5-ol?
The InChIKey is YFQXIMCPJVXWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-16-13-7-6-11(18)8-10(13)9-15(17-16)12-4-2-3-5-14(12)16/h2-8,15,17-18H,9H2,1H3.
What are the key properties of 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-5-ol?
1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-5-ol has a molecular weight of 237.30 g/mol, XLogP of 2.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-5-ol is sourced from PubChem (CID 13194169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).