3H-indol-5-yl-(7-methoxy-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-3-yl)methanone

C21H20N2O2 — CID 58374925

IUPAC3H-indol-5-yl-(7-methoxy-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-3-yl)methanone
SMILESCOc1ccc2c(c1)C1CCN(C(=O)c3ccc4c(c3)CC=N4)C1C2
InChIInChI=1S/C21H20N2O2/c1-25-16-4-2-13-11-20-17(18(13)12-16)7-9-23(20)21(24)15-3-5-19-14(10-15)6-8-22-19/h2-5,8,10,12,17,20H,6-7,9,11H2,1H3
InChIKeyQDALMWWNDBAZSJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.51
Rot. Bonds2

About 3H-indol-5-yl-(7-methoxy-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-3-yl)methanone

3H-indol-5-yl-(7-methoxy-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-3-yl)methanone (PubChem CID 58374925) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3H-indol-5-yl-(7-methoxy-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-3-yl)methanone.

Molecular Properties

Compound Name3H-indol-5-yl-(7-methoxy-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-3-yl)methanone
PubChem CID58374925
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name3H-indol-5-yl-(7-methoxy-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-3-yl)methanone
SMILESCOc1ccc2c(c1)C1CCN(C(=O)c3ccc4c(c3)CC=N4)C1C2
InChIInChI=1S/C21H20N2O2/c1-25-16-4-2-13-11-20-17(18(13)12-16)7-9-23(20)21(24)15-3-5-19-14(10-15)6-8-22-19/h2-5,8,10,12,17,20H,6-7,9,11H2,1H3
InChIKeyQDALMWWNDBAZSJ-UHFFFAOYSA-N
XLogP3.51
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(4aR)-8-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-indol-6-yl)methanone
CID 58294403
[(4aR,9aS)-6-hydroxy-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone
CID 58294515
[(4aR,9aS)-6-methoxy-5-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone
CID 58294482
[(4aR,9aS)-6-(1-methylpyrazol-4-yl)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(3H-indol-6-yl)methanone
CID 58294495
(4aS)-4-(3H-indole-6-carbonyl)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-8-carboxamide
CID 58294613
[(1R,8S)-3,9-diazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-9-yl]-(3H-indol-5-yl)methanone
CID 58375023
3H-benzimidazol-5-yl-(7-hydroxy-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-3-yl)methanone
CID 67346152
[(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
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
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
(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
[(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(1,2-dihydroquinoxalin-6-yl)methanone
CID 141297422

Frequently Asked Questions

What is the IUPAC name of 3H-indol-5-yl-(7-methoxy-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-3-yl)methanone?
The IUPAC name of 3H-indol-5-yl-(7-methoxy-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-3-yl)methanone (CID 58374925) is 3H-indol-5-yl-(7-methoxy-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-3-yl)methanone.
What is the SMILES notation for 3H-indol-5-yl-(7-methoxy-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-3-yl)methanone?
The canonical SMILES for 3H-indol-5-yl-(7-methoxy-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-3-yl)methanone is COc1ccc2c(c1)C1CCN(C(=O)c3ccc4c(c3)CC=N4)C1C2.
What is the InChIKey of 3H-indol-5-yl-(7-methoxy-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-3-yl)methanone?
The InChIKey is QDALMWWNDBAZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-25-16-4-2-13-11-20-17(18(13)12-16)7-9-23(20)21(24)15-3-5-19-14(10-15)6-8-22-19/h2-5,8,10,12,17,20H,6-7,9,11H2,1H3.
What are the key properties of 3H-indol-5-yl-(7-methoxy-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-3-yl)methanone?
3H-indol-5-yl-(7-methoxy-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-3-yl)methanone has a molecular weight of 332.40 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-indol-5-yl-(7-methoxy-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-3-yl)methanone is sourced from PubChem (CID 58374925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).