(10R)-10-methyl-9-(1-methylindol-2-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene

C20H20N2 — CID 137454887

IUPAC(10R)-10-methyl-9-(1-methylindol-2-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESC[C@@H]1C(c2cc3ccccc3n2C)C2CN1c1ccccc12
InChIInChI=1S/C20H20N2/c1-13-20(16-12-22(13)18-10-6-4-8-15(16)18)19-11-14-7-3-5-9-17(14)21(19)2/h3-11,13,16,20H,12H2,1-2H3/t13-,16?,20?/m1/s1
InChIKeyYKRRRYSRICCMLD-CETSPDHXSA-N
MW288.39 g/mol
LogP4.27
Rot. Bonds1

About (10R)-10-methyl-9-(1-methylindol-2-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene

(10R)-10-methyl-9-(1-methylindol-2-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 137454887) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (10R)-10-methyl-9-(1-methylindol-2-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name(10R)-10-methyl-9-(1-methylindol-2-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID137454887
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name(10R)-10-methyl-9-(1-methylindol-2-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESC[C@@H]1C(c2cc3ccccc3n2C)C2CN1c1ccccc12
InChIInChI=1S/C20H20N2/c1-13-20(16-12-22(13)18-10-6-4-8-15(16)18)19-11-14-7-3-5-9-17(14)21(19)2/h3-11,13,16,20H,12H2,1-2H3/t13-,16?,20?/m1/s1
InChIKeyYKRRRYSRICCMLD-CETSPDHXSA-N
XLogP4.27
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(10R)-10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 137454690
1-methyl-2-[(3S)-piperidin-3-yl]indole
CID 124505211
1-methyl-2-(1-methylsulfonylpiperidin-4-yl)indole
CID 113087981
10-methyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162295357
5,7-dimethyl-2-(1-methylindol-2-yl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 7299675
methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 113087974
CID 175336040
CID 175336040
cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088482
2-[(2S)-2,3-dimethyl-1,3-diazepan-1-yl]-1-methylindole
CID 137454881
(5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene
CID 144534632
2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone
CID 113087949
(6S)-6,7-dimethyl-5-(1-methylindol-2-yl)-6H-benzo[d][1,3]benzodiazepine
CID 137454883

Frequently Asked Questions

What is the IUPAC name of (10R)-10-methyl-9-(1-methylindol-2-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of (10R)-10-methyl-9-(1-methylindol-2-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 137454887) is (10R)-10-methyl-9-(1-methylindol-2-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for (10R)-10-methyl-9-(1-methylindol-2-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for (10R)-10-methyl-9-(1-methylindol-2-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene is C[C@@H]1C(c2cc3ccccc3n2C)C2CN1c1ccccc12.
What is the InChIKey of (10R)-10-methyl-9-(1-methylindol-2-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is YKRRRYSRICCMLD-CETSPDHXSA-N. The full InChI is InChI=1S/C20H20N2/c1-13-20(16-12-22(13)18-10-6-4-8-15(16)18)19-11-14-7-3-5-9-17(14)21(19)2/h3-11,13,16,20H,12H2,1-2H3/t13-,16?,20?/m1/s1.
What are the key properties of (10R)-10-methyl-9-(1-methylindol-2-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
(10R)-10-methyl-9-(1-methylindol-2-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 288.39 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-methyl-9-(1-methylindol-2-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 137454887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).