(3R)-6-chloro-2-oxo-1,3-dihydroindole-3-carbaldehyde

C9H6ClNO2 — CID 98093390

IUPAC(3R)-6-chloro-2-oxo-1,3-dihydroindole-3-carbaldehyde
SMILESO=C[C@@H]1C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C9H6ClNO2/c10-5-1-2-6-7(4-12)9(13)11-8(6)3-5/h1-4,7H,(H,11,13)/t7-/m0/s1
InChIKeyNSJARCFMEOANBE-ZETCQYMHSA-N
MW195.61 g/mol
LogP1.57
Rot. Bonds1

About (3R)-6-chloro-2-oxo-1,3-dihydroindole-3-carbaldehyde

(3R)-6-chloro-2-oxo-1,3-dihydroindole-3-carbaldehyde (PubChem CID 98093390) has the molecular formula C9H6ClNO2 and a molecular weight of 195.61 g/mol. Its IUPAC name is (3R)-6-chloro-2-oxo-1,3-dihydroindole-3-carbaldehyde.

Molecular Properties

Compound Name(3R)-6-chloro-2-oxo-1,3-dihydroindole-3-carbaldehyde
PubChem CID98093390
Molecular FormulaC9H6ClNO2
Molecular Weight195.61 g/mol
Exact Mass195.01
IUPAC Name(3R)-6-chloro-2-oxo-1,3-dihydroindole-3-carbaldehyde
SMILESO=C[C@@H]1C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C9H6ClNO2/c10-5-1-2-6-7(4-12)9(13)11-8(6)3-5/h1-4,7H,(H,11,13)/t7-/m0/s1
InChIKeyNSJARCFMEOANBE-ZETCQYMHSA-N
XLogP1.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.57
H-Bond Donors ≤ 51
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 (3R)-6-chloro-2-oxo-1,3-dihydroindole-3-carbaldehyde?
The IUPAC name of (3R)-6-chloro-2-oxo-1,3-dihydroindole-3-carbaldehyde (CID 98093390) is (3R)-6-chloro-2-oxo-1,3-dihydroindole-3-carbaldehyde.
What is the SMILES notation for (3R)-6-chloro-2-oxo-1,3-dihydroindole-3-carbaldehyde?
The canonical SMILES for (3R)-6-chloro-2-oxo-1,3-dihydroindole-3-carbaldehyde is O=C[C@@H]1C(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of (3R)-6-chloro-2-oxo-1,3-dihydroindole-3-carbaldehyde?
The InChIKey is NSJARCFMEOANBE-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H6ClNO2/c10-5-1-2-6-7(4-12)9(13)11-8(6)3-5/h1-4,7H,(H,11,13)/t7-/m0/s1.
What are the key properties of (3R)-6-chloro-2-oxo-1,3-dihydroindole-3-carbaldehyde?
(3R)-6-chloro-2-oxo-1,3-dihydroindole-3-carbaldehyde has a molecular weight of 195.61 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-chloro-2-oxo-1,3-dihydroindole-3-carbaldehyde is sourced from PubChem (CID 98093390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).