(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-6-ol

C16H21NO — CID 54327511

IUPAC(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-6-ol
SMILESOc1cccc2c1C[C@H]1NCC[C@@]23CCCC[C@@H]13
InChIInChI=1S/C16H21NO/c18-15-6-3-5-12-11(15)10-14-13-4-1-2-7-16(12,13)8-9-17-14/h3,5-6,13-14,17-18H,1-2,4,7-10H2/t13-,14+,16-/m0/s1
InChIKeySVZZBABSMGVXHM-LZWOXQAQSA-N
MW243.35 g/mol
LogP2.74
Rot. Bonds

About (1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-6-ol

(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-6-ol (PubChem CID 54327511) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-6-ol.

Molecular Properties

Compound Name(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-6-ol
PubChem CID54327511
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-6-ol
SMILESOc1cccc2c1C[C@H]1NCC[C@@]23CCCC[C@@H]13
InChIInChI=1S/C16H21NO/c18-15-6-3-5-12-11(15)10-14-13-4-1-2-7-16(12,13)8-9-17-14/h3,5-6,13-14,17-18H,1-2,4,7-10H2/t13-,14+,16-/m0/s1
InChIKeySVZZBABSMGVXHM-LZWOXQAQSA-N
XLogP2.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-6-ol?
The IUPAC name of (1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-6-ol (CID 54327511) is (1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-6-ol.
What is the SMILES notation for (1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-6-ol?
The canonical SMILES for (1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-6-ol is Oc1cccc2c1C[C@H]1NCC[C@@]23CCCC[C@@H]13.
What is the InChIKey of (1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-6-ol?
The InChIKey is SVZZBABSMGVXHM-LZWOXQAQSA-N. The full InChI is InChI=1S/C16H21NO/c18-15-6-3-5-12-11(15)10-14-13-4-1-2-7-16(12,13)8-9-17-14/h3,5-6,13-14,17-18H,1-2,4,7-10H2/t13-,14+,16-/m0/s1.
What are the key properties of (1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-6-ol?
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-6-ol has a molecular weight of 243.35 g/mol, XLogP of 2.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-6-ol is sourced from PubChem (CID 54327511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).