(1R,9S)-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene

C17H15N — CID 73355963

IUPAC(1R,9S)-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene
SMILESC[C@@]12Cc3ccccc3[C@@H](C=N1)c1ccccc12
InChIInChI=1S/C17H15N/c1-17-10-12-6-2-3-7-13(12)15(11-18-17)14-8-4-5-9-16(14)17/h2-9,11,15H,10H2,1H3/t15-,17+/m1/s1
InChIKeyMZHFRMGXHVOIHQ-WBVHZDCISA-N
MW233.31 g/mol
LogP3.67
Rot. Bonds

About (1R,9S)-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene

(1R,9S)-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene (PubChem CID 73355963) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is (1R,9S)-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene.

Molecular Properties

Compound Name(1R,9S)-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene
PubChem CID73355963
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name(1R,9S)-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene
SMILESC[C@@]12Cc3ccccc3[C@@H](C=N1)c1ccccc12
InChIInChI=1S/C17H15N/c1-17-10-12-6-2-3-7-13(12)15(11-18-17)14-8-4-5-9-16(14)17/h2-9,11,15H,10H2,1H3/t15-,17+/m1/s1
InChIKeyMZHFRMGXHVOIHQ-WBVHZDCISA-N
XLogP3.67
TPSA12.36 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 ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,9S)-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene?
The IUPAC name of (1R,9S)-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene (CID 73355963) is (1R,9S)-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene.
What is the SMILES notation for (1R,9S)-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene?
The canonical SMILES for (1R,9S)-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene is C[C@@]12Cc3ccccc3[C@@H](C=N1)c1ccccc12.
What is the InChIKey of (1R,9S)-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene?
The InChIKey is MZHFRMGXHVOIHQ-WBVHZDCISA-N. The full InChI is InChI=1S/C17H15N/c1-17-10-12-6-2-3-7-13(12)15(11-18-17)14-8-4-5-9-16(14)17/h2-9,11,15H,10H2,1H3/t15-,17+/m1/s1.
What are the key properties of (1R,9S)-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene?
(1R,9S)-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene has a molecular weight of 233.31 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S)-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene is sourced from PubChem (CID 73355963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).