(9R)-8-methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,11,13(17),14-heptaene

C17H15N — CID 71158878

IUPAC(9R)-8-methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,11,13(17),14-heptaene
SMILESCN1c2ccccc2-c2cccc3c2[C@H]1CC=C3
InChIInChI=1S/C17H15N/c1-18-15-10-3-2-8-13(15)14-9-4-6-12-7-5-11-16(18)17(12)14/h2-10,16H,11H2,1H3/t16-/m1/s1
InChIKeyQDSUELTXPLFXQA-MRXNPFEDSA-N
MW233.31 g/mol
LogP4.26
Rot. Bonds

About (9R)-8-methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,11,13(17),14-heptaene

(9R)-8-methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,11,13(17),14-heptaene (PubChem CID 71158878) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is (9R)-8-methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,11,13(17),14-heptaene.

Molecular Properties

Compound Name(9R)-8-methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,11,13(17),14-heptaene
PubChem CID71158878
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name(9R)-8-methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,11,13(17),14-heptaene
SMILESCN1c2ccccc2-c2cccc3c2[C@H]1CC=C3
InChIInChI=1S/C17H15N/c1-18-15-10-3-2-8-13(15)14-9-4-6-12-7-5-11-16(18)17(12)14/h2-10,16H,11H2,1H3/t16-/m1/s1
InChIKeyQDSUELTXPLFXQA-MRXNPFEDSA-N
XLogP4.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (9R)-8-methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,11,13(17),14-heptaene?
The IUPAC name of (9R)-8-methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,11,13(17),14-heptaene (CID 71158878) is (9R)-8-methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,11,13(17),14-heptaene.
What is the SMILES notation for (9R)-8-methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,11,13(17),14-heptaene?
The canonical SMILES for (9R)-8-methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,11,13(17),14-heptaene is CN1c2ccccc2-c2cccc3c2[C@H]1CC=C3.
What is the InChIKey of (9R)-8-methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,11,13(17),14-heptaene?
The InChIKey is QDSUELTXPLFXQA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15N/c1-18-15-10-3-2-8-13(15)14-9-4-6-12-7-5-11-16(18)17(12)14/h2-10,16H,11H2,1H3/t16-/m1/s1.
What are the key properties of (9R)-8-methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,11,13(17),14-heptaene?
(9R)-8-methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,11,13(17),14-heptaene has a molecular weight of 233.31 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-8-methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,11,13(17),14-heptaene is sourced from PubChem (CID 71158878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).