(1R,9S)-14-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,11-tetraene

C13H15N — CID 11521416

IUPAC(1R,9S)-14-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,11-tetraene
SMILESC1=CC[C@H]2N[C@@H](C1)Cc1ccccc12
InChIInChI=1S/C13H15N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(12)14-11/h1-5,7,11,13-14H,6,8-9H2/t11-,13+/m0/s1
InChIKeyJJVLKZUAZXOJSY-WCQYABFASA-N
MW185.27 g/mol
LogP2.59
Rot. Bonds

About (1R,9S)-14-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,11-tetraene

(1R,9S)-14-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,11-tetraene (PubChem CID 11521416) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is (1R,9S)-14-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,11-tetraene.

Molecular Properties

Compound Name(1R,9S)-14-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,11-tetraene
PubChem CID11521416
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name(1R,9S)-14-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,11-tetraene
SMILESC1=CC[C@H]2N[C@@H](C1)Cc1ccccc12
InChIInChI=1S/C13H15N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(12)14-11/h1-5,7,11,13-14H,6,8-9H2/t11-,13+/m0/s1
InChIKeyJJVLKZUAZXOJSY-WCQYABFASA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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1-isothiocyanato-2-methyl-2,3-dihydro-1H-indene
CID 87711525
(2S,10S)-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;hydrochloride
CID 138399915
7-bicyclo[4.2.0]octa-1,3,5-trienylazanium
CID 4235727
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CID 2753029
N,2-dimethyl-2,3-dihydro-1H-inden-1-amine;ethane
CID 142067268
3-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 68765207
3-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine
CID 66218911
(1S)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 59444842
(1S,2S)-1,2-dimethyl-2,3-dihydro-1H-indene;ethane;methane
CID 157409915
(1R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 55285370
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884

Frequently Asked Questions

What is the IUPAC name of (1R,9S)-14-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,11-tetraene?
The IUPAC name of (1R,9S)-14-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,11-tetraene (CID 11521416) is (1R,9S)-14-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,11-tetraene.
What is the SMILES notation for (1R,9S)-14-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,11-tetraene?
The canonical SMILES for (1R,9S)-14-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,11-tetraene is C1=CC[C@H]2N[C@@H](C1)Cc1ccccc12.
What is the InChIKey of (1R,9S)-14-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,11-tetraene?
The InChIKey is JJVLKZUAZXOJSY-WCQYABFASA-N. The full InChI is InChI=1S/C13H15N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(12)14-11/h1-5,7,11,13-14H,6,8-9H2/t11-,13+/m0/s1.
What are the key properties of (1R,9S)-14-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,11-tetraene?
(1R,9S)-14-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,11-tetraene has a molecular weight of 185.27 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S)-14-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,11-tetraene is sourced from PubChem (CID 11521416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).