[(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(1H-indol-3-yl)methanone

C19H19N3O — CID 58375098

IUPAC[(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CC[C@@H]2C[C@H]1CC1=C2N=CC1
InChIInChI=1S/C19H19N3O/c23-19(16-11-21-17-4-2-1-3-15(16)17)22-8-6-13-10-14(22)9-12-5-7-20-18(12)13/h1-4,7,11,13-14,21H,5-6,8-10H2/t13-,14-/m1/s1
InChIKeyCFOWMLFJZTWXKO-ZIAGYGMSSA-N
MW305.38 g/mol
LogP3.52
Rot. Bonds1

About [(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(1H-indol-3-yl)methanone

[(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(1H-indol-3-yl)methanone (PubChem CID 58375098) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is [(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(1H-indol-3-yl)methanone
PubChem CID58375098
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name[(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CC[C@@H]2C[C@H]1CC1=C2N=CC1
InChIInChI=1S/C19H19N3O/c23-19(16-11-21-17-4-2-1-3-15(16)17)22-8-6-13-10-14(22)9-12-5-7-20-18(12)13/h1-4,7,11,13-14,21H,5-6,8-10H2/t13-,14-/m1/s1
InChIKeyCFOWMLFJZTWXKO-ZIAGYGMSSA-N
XLogP3.52
TPSA48.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(1H-indol-3-yl)methanone with MolForge

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Related Compounds

[(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(3H-indol-5-yl)methanone
CID 58375023
1H-indol-3-yl-[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone
CID 129354140
1-(1H-indole-3-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 60958469
4-cyclopropyl-5-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 90540730
(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone
CID 65281682
2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl(1H-indol-3-yl)methanone
CID 67223431
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(1H-indol-3-yl)methanone
CID 17421277
(2,3-dimethylthiomorpholin-4-yl)-(1H-indol-3-yl)methanone
CID 115634509
1H-indol-3-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115316389
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1H-indol-3-yl)methanone
CID 66210625
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 137456369

Frequently Asked Questions

What is the IUPAC name of [(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(1H-indol-3-yl)methanone?
The IUPAC name of [(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(1H-indol-3-yl)methanone (CID 58375098) is [(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(1H-indol-3-yl)methanone is O=C(c1c[nH]c2ccccc12)N1CC[C@@H]2C[C@H]1CC1=C2N=CC1.
What is the InChIKey of [(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(1H-indol-3-yl)methanone?
The InChIKey is CFOWMLFJZTWXKO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H19N3O/c23-19(16-11-21-17-4-2-1-3-15(16)17)22-8-6-13-10-14(22)9-12-5-7-20-18(12)13/h1-4,7,11,13-14,21H,5-6,8-10H2/t13-,14-/m1/s1.
What are the key properties of [(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(1H-indol-3-yl)methanone?
[(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(1H-indol-3-yl)methanone has a molecular weight of 305.38 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 58375098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).