(1R,9R,10R)-13-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraene

C17H19N — CID 70461251

IUPAC(1R,9R,10R)-13-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraene
SMILESC=C1C=C[C@H]2[C@H]3Cc4ccccc4[C@@]2(CCN3)C1
InChIInChI=1S/C17H19N/c1-12-6-7-15-16-10-13-4-2-3-5-14(13)17(15,11-12)8-9-18-16/h2-7,15-16,18H,1,8-11H2/t15-,16+,17+/m0/s1
InChIKeyIMQSWZUDJJYRJL-GVDBMIGSSA-N
MW237.35 g/mol
LogP2.97
Rot. Bonds

About (1R,9R,10R)-13-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraene

(1R,9R,10R)-13-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraene (PubChem CID 70461251) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is (1R,9R,10R)-13-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraene.

Molecular Properties

Compound Name(1R,9R,10R)-13-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraene
PubChem CID70461251
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name(1R,9R,10R)-13-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraene
SMILESC=C1C=C[C@H]2[C@H]3Cc4ccccc4[C@@]2(CCN3)C1
InChIInChI=1S/C17H19N/c1-12-6-7-15-16-10-13-4-2-3-5-14(13)17(15,11-12)8-9-18-16/h2-7,15-16,18H,1,8-11H2/t15-,16+,17+/m0/s1
InChIKeyIMQSWZUDJJYRJL-GVDBMIGSSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,9R,10R)-13-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraene?
The IUPAC name of (1R,9R,10R)-13-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraene (CID 70461251) is (1R,9R,10R)-13-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraene.
What is the SMILES notation for (1R,9R,10R)-13-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraene?
The canonical SMILES for (1R,9R,10R)-13-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraene is C=C1C=C[C@H]2[C@H]3Cc4ccccc4[C@@]2(CCN3)C1.
What is the InChIKey of (1R,9R,10R)-13-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraene?
The InChIKey is IMQSWZUDJJYRJL-GVDBMIGSSA-N. The full InChI is InChI=1S/C17H19N/c1-12-6-7-15-16-10-13-4-2-3-5-14(13)17(15,11-12)8-9-18-16/h2-7,15-16,18H,1,8-11H2/t15-,16+,17+/m0/s1.
What are the key properties of (1R,9R,10R)-13-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraene?
(1R,9R,10R)-13-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraene has a molecular weight of 237.35 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10R)-13-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraene is sourced from PubChem (CID 70461251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).