(1S)-1-methyl-9-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

C12H15N — CID 11095109

IUPAC(1S)-1-methyl-9-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESC[C@]12CCN(Cc3ccccc31)C2
InChIInChI=1S/C12H15N/c1-12-6-7-13(9-12)8-10-4-2-3-5-11(10)12/h2-5H,6-9H2,1H3/t12-/m1/s1
InChIKeyUAACPUBIHDCLIQ-GFCCVEGCSA-N
MW173.26 g/mol
LogP2.16
Rot. Bonds

About (1S)-1-methyl-9-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

(1S)-1-methyl-9-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (PubChem CID 11095109) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (1S)-1-methyl-9-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name(1S)-1-methyl-9-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
PubChem CID11095109
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(1S)-1-methyl-9-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESC[C@]12CCN(Cc3ccccc31)C2
InChIInChI=1S/C12H15N/c1-12-6-7-13(9-12)8-10-4-2-3-5-11(10)12/h2-5H,6-9H2,1H3/t12-/m1/s1
InChIKeyUAACPUBIHDCLIQ-GFCCVEGCSA-N
XLogP2.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(9-azatricyclo[7.2.2.02,7]trideca-2,4,6-trien-1-yl)ethanol
CID 105471532
9b-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindole;ethane
CID 176714450
2,4-dimethyl-1,3-dihydroisoquinolin-4-ol
CID 13117140
3,5,5-trimethyl-2,4-dihydro-1H-3-benzazepine
CID 58529230
2-amino-1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)propan-1-one
CID 83626790
N-(4-bromophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2,4,6-triene-1-carboxamide
CID 1247932
2,5,5-trimethyl-1,4-dihydro-2-benzazepin-3-one
CID 11481120
methane;3-methyl-3-propan-2-yl-1,2-dihydroindene
CID 176568609
4-(2-hydroxyphenyl)-1-methylpiperidine-4-carbaldehyde
CID 88542986
2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
CID 63143249
[3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 55142370
2-(1,2-dimethyl-3H-isoindol-1-yl)ethanol
CID 86069695

Frequently Asked Questions

What is the IUPAC name of (1S)-1-methyl-9-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The IUPAC name of (1S)-1-methyl-9-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (CID 11095109) is (1S)-1-methyl-9-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for (1S)-1-methyl-9-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The canonical SMILES for (1S)-1-methyl-9-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is C[C@]12CCN(Cc3ccccc31)C2.
What is the InChIKey of (1S)-1-methyl-9-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The InChIKey is UAACPUBIHDCLIQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15N/c1-12-6-7-13(9-12)8-10-4-2-3-5-11(10)12/h2-5H,6-9H2,1H3/t12-/m1/s1.
What are the key properties of (1S)-1-methyl-9-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
(1S)-1-methyl-9-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene has a molecular weight of 173.26 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methyl-9-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 11095109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).