3-(9-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione

C23H19N3O3 — CID 76524976

IUPAC3-(9-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(c2cn3c4c(cccc24)C(O)CC3)C1c1c[nH]c2ccccc12
InChIInChI=1S/C23H19N3O3/c27-18-8-9-26-11-16(13-5-3-6-14(18)21(13)26)20-19(22(28)25-23(20)29)15-10-24-17-7-2-1-4-12(15)17/h1-7,10-11,18-20,24,27H,8-9H2,(H,25,28,29)
InChIKeyKUJUSTBBOKWYSG-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.08
Rot. Bonds2

About 3-(9-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione

3-(9-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione (PubChem CID 76524976) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-(9-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(9-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
PubChem CID76524976
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name3-(9-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(c2cn3c4c(cccc24)C(O)CC3)C1c1c[nH]c2ccccc12
InChIInChI=1S/C23H19N3O3/c27-18-8-9-26-11-16(13-5-3-6-14(18)21(13)26)20-19(22(28)25-23(20)29)15-10-24-17-7-2-1-4-12(15)17/h1-7,10-11,18-20,24,27H,8-9H2,(H,25,28,29)
InChIKeyKUJUSTBBOKWYSG-UHFFFAOYSA-N
XLogP3.08
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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CID 5330746
3-(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-pyrrolidine-2,5-dione
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3-[1-(3-hydroxypropyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
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7-(Hydroxymethyl)-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5(10),6,8,11,16,18,20,22(26)-nonaene-13,15-dione
CID 10092073
(+)-cis-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4(1H-indol-3-yl)pyrrolidine-2,5-dione
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3-(5-(dimethylamino)methyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
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2H-Pyrrol-2-one, 1,5-dihydro-5-hydroxy-3,4-di-1H-indol-3-yl-
CID 5327651
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-(1H-indol-5-yl)methanone
CID 54580228
3-(1H-indol-3-yl)-1-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione
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3-(1H-indol-3-yl)-1-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of 3-(9-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(9-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione (CID 76524976) is 3-(9-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(9-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(9-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione is O=C1NC(=O)C(c2cn3c4c(cccc24)C(O)CC3)C1c1c[nH]c2ccccc12.
What is the InChIKey of 3-(9-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione?
The InChIKey is KUJUSTBBOKWYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-18-8-9-26-11-16(13-5-3-6-14(18)21(13)26)20-19(22(28)25-23(20)29)15-10-24-17-7-2-1-4-12(15)17/h1-7,10-11,18-20,24,27H,8-9H2,(H,25,28,29).
What are the key properties of 3-(9-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione?
3-(9-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione has a molecular weight of 385.42 g/mol, XLogP of 3.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 76524976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).