3-hydroxy-2-(3-methyl-1H-indole-2-carbonyl)inden-1-one

C19H13NO3 — CID 11652395

IUPAC3-hydroxy-2-(3-methyl-1H-indole-2-carbonyl)inden-1-one
SMILESCc1c(C(=O)C2=C(O)c3ccccc3C2=O)[nH]c2ccccc12
InChIInChI=1S/C19H13NO3/c1-10-11-6-4-5-9-14(11)20-16(10)19(23)15-17(21)12-7-2-3-8-13(12)18(15)22/h2-9,20-21H,1H3
InChIKeyDTSGMLDEFFUHKW-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.82
Rot. Bonds2

About 3-hydroxy-2-(3-methyl-1H-indole-2-carbonyl)inden-1-one

3-hydroxy-2-(3-methyl-1H-indole-2-carbonyl)inden-1-one (PubChem CID 11652395) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-hydroxy-2-(3-methyl-1H-indole-2-carbonyl)inden-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(3-methyl-1H-indole-2-carbonyl)inden-1-one
PubChem CID11652395
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name3-hydroxy-2-(3-methyl-1H-indole-2-carbonyl)inden-1-one
SMILESCc1c(C(=O)C2=C(O)c3ccccc3C2=O)[nH]c2ccccc12
InChIInChI=1S/C19H13NO3/c1-10-11-6-4-5-9-14(11)20-16(10)19(23)15-17(21)12-7-2-3-8-13(12)18(15)22/h2-9,20-21H,1H3
InChIKeyDTSGMLDEFFUHKW-UHFFFAOYSA-N
XLogP3.82
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(3-methyl-1H-indole-2-carbonyl)inden-1-one?
The IUPAC name of 3-hydroxy-2-(3-methyl-1H-indole-2-carbonyl)inden-1-one (CID 11652395) is 3-hydroxy-2-(3-methyl-1H-indole-2-carbonyl)inden-1-one.
What is the SMILES notation for 3-hydroxy-2-(3-methyl-1H-indole-2-carbonyl)inden-1-one?
The canonical SMILES for 3-hydroxy-2-(3-methyl-1H-indole-2-carbonyl)inden-1-one is Cc1c(C(=O)C2=C(O)c3ccccc3C2=O)[nH]c2ccccc12.
What is the InChIKey of 3-hydroxy-2-(3-methyl-1H-indole-2-carbonyl)inden-1-one?
The InChIKey is DTSGMLDEFFUHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c1-10-11-6-4-5-9-14(11)20-16(10)19(23)15-17(21)12-7-2-3-8-13(12)18(15)22/h2-9,20-21H,1H3.
What are the key properties of 3-hydroxy-2-(3-methyl-1H-indole-2-carbonyl)inden-1-one?
3-hydroxy-2-(3-methyl-1H-indole-2-carbonyl)inden-1-one has a molecular weight of 303.32 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(3-methyl-1H-indole-2-carbonyl)inden-1-one is sourced from PubChem (CID 11652395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).