(3S)-2-oxo-1-phenyl-3H-indole-3-carbaldehyde

C15H11NO2 — CID 1070648

IUPAC(3S)-2-oxo-1-phenyl-3H-indole-3-carbaldehyde
SMILESO=C[C@H]1C(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C15H11NO2/c17-10-13-12-8-4-5-9-14(12)16(15(13)18)11-6-2-1-3-7-11/h1-10,13H/t13-/m1/s1
InChIKeyDBNWZEHKIYHGES-CYBMUJFWSA-N
MW237.26 g/mol
LogP2.65
Rot. Bonds2

About (3S)-2-oxo-1-phenyl-3H-indole-3-carbaldehyde

(3S)-2-oxo-1-phenyl-3H-indole-3-carbaldehyde (PubChem CID 1070648) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is (3S)-2-oxo-1-phenyl-3H-indole-3-carbaldehyde.

Molecular Properties

Compound Name(3S)-2-oxo-1-phenyl-3H-indole-3-carbaldehyde
PubChem CID1070648
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name(3S)-2-oxo-1-phenyl-3H-indole-3-carbaldehyde
SMILESO=C[C@H]1C(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C15H11NO2/c17-10-13-12-8-4-5-9-14(12)16(15(13)18)11-6-2-1-3-7-11/h1-10,13H/t13-/m1/s1
InChIKeyDBNWZEHKIYHGES-CYBMUJFWSA-N
XLogP2.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-oxo-1-phenyl-3H-indole-3-carbaldehyde?
The IUPAC name of (3S)-2-oxo-1-phenyl-3H-indole-3-carbaldehyde (CID 1070648) is (3S)-2-oxo-1-phenyl-3H-indole-3-carbaldehyde.
What is the SMILES notation for (3S)-2-oxo-1-phenyl-3H-indole-3-carbaldehyde?
The canonical SMILES for (3S)-2-oxo-1-phenyl-3H-indole-3-carbaldehyde is O=C[C@H]1C(=O)N(c2ccccc2)c2ccccc21.
What is the InChIKey of (3S)-2-oxo-1-phenyl-3H-indole-3-carbaldehyde?
The InChIKey is DBNWZEHKIYHGES-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H11NO2/c17-10-13-12-8-4-5-9-14(12)16(15(13)18)11-6-2-1-3-7-11/h1-10,13H/t13-/m1/s1.
What are the key properties of (3S)-2-oxo-1-phenyl-3H-indole-3-carbaldehyde?
(3S)-2-oxo-1-phenyl-3H-indole-3-carbaldehyde has a molecular weight of 237.26 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-oxo-1-phenyl-3H-indole-3-carbaldehyde is sourced from PubChem (CID 1070648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).