[(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(3H-indol-5-yl)methanone

C19H19N3O — CID 58375023

IUPAC[(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(3H-indol-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CC=N2)N1CC[C@@H]2C[C@H]1CC1=C2N=CC1
InChIInChI=1S/C19H19N3O/c23-19(15-1-2-17-12(9-15)3-6-20-17)22-8-5-14-11-16(22)10-13-4-7-21-18(13)14/h1-2,6-7,9,14,16H,3-5,8,10-11H2/t14-,16-/m1/s1
InChIKeyULWQRCNPGKJGLL-GDBMZVCRSA-N
MW305.38 g/mol
LogP3.30
Rot. Bonds1

About [(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(3H-indol-5-yl)methanone

[(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(3H-indol-5-yl)methanone (PubChem CID 58375023) 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]-(3H-indol-5-yl)methanone.

Molecular Properties

Compound Name[(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(3H-indol-5-yl)methanone
PubChem CID58375023
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]-(3H-indol-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CC=N2)N1CC[C@@H]2C[C@H]1CC1=C2N=CC1
InChIInChI=1S/C19H19N3O/c23-19(15-1-2-17-12(9-15)3-6-20-17)22-8-5-14-11-16(22)10-13-4-7-21-18(13)14/h1-2,6-7,9,14,16H,3-5,8,10-11H2/t14-,16-/m1/s1
InChIKeyULWQRCNPGKJGLL-GDBMZVCRSA-N
XLogP3.30
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(3H-indol-5-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]-(1H-indol-3-yl)methanone
CID 58375098
(4-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)-(3H-indol-5-yl)methanone
CID 58374960
3H-indol-5-yl-(7-methoxy-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-3-yl)methanone
CID 58374925
[(1R,9R,13S)-1,13-dimethyl-4-pyridin-4-yl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(3H-indol-5-yl)methanone
CID 58375219
(4-hydroxy-13,13-dimethyl-1-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)-(3H-indol-5-yl)methanone
CID 58375123
3H-indol-5-yl-[(1S,13R)-1,6,7,17,17-pentamethyl-5,8,14-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10-pentaen-14-yl]methanone
CID 58375200
[(1S,12R)-6-cyclopropyl-1,16,16-trimethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraen-13-yl]-(3H-indol-5-yl)methanone
CID 58375146
3H-indol-5-yl-[(1R,9S)-5-methoxy-1,4,13,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone
CID 58375067
(1S,9R)-10-(3H-indole-5-carbonyl)-N,N,1,13,13-pentamethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-6-carboxamide
CID 58375258
(1R,9R,13S)-10-(3H-indole-5-carbonyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-5-carbonitrile
CID 58375241
3H-indol-5-yl-[(1S,9S)-4-methoxy-1,5,13,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone
CID 58375306
3H-indol-5-yl-[(1S,12S)-1,7,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraen-13-yl]methanone
CID 58375068

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]-(3H-indol-5-yl)methanone?
The IUPAC name of [(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(3H-indol-5-yl)methanone (CID 58375023) is [(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(3H-indol-5-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]-(3H-indol-5-yl)methanone?
The canonical SMILES for [(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(3H-indol-5-yl)methanone is O=C(c1ccc2c(c1)CC=N2)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]-(3H-indol-5-yl)methanone?
The InChIKey is ULWQRCNPGKJGLL-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H19N3O/c23-19(15-1-2-17-12(9-15)3-6-20-17)22-8-5-14-11-16(22)10-13-4-7-21-18(13)14/h1-2,6-7,9,14,16H,3-5,8,10-11H2/t14-,16-/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]-(3H-indol-5-yl)methanone?
[(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(3H-indol-5-yl)methanone has a molecular weight of 305.38 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 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]-(3H-indol-5-yl)methanone is sourced from PubChem (CID 58375023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).