methyl 5-chloro-1-formyl-2,3-dihydroindole-3-carboxylate

C11H10ClNO3 — CID 101231670

IUPACmethyl 5-chloro-1-formyl-2,3-dihydroindole-3-carboxylate
SMILESCOC(=O)C1CN(C=O)c2ccc(Cl)cc21
InChIInChI=1S/C11H10ClNO3/c1-16-11(15)9-5-13(6-14)10-3-2-7(12)4-8(9)10/h2-4,6,9H,5H2,1H3
InChIKeyIHQSNOSGEXAJQK-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.57
Rot. Bonds2

About methyl 5-chloro-1-formyl-2,3-dihydroindole-3-carboxylate

methyl 5-chloro-1-formyl-2,3-dihydroindole-3-carboxylate (PubChem CID 101231670) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is methyl 5-chloro-1-formyl-2,3-dihydroindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-1-formyl-2,3-dihydroindole-3-carboxylate
PubChem CID101231670
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Namemethyl 5-chloro-1-formyl-2,3-dihydroindole-3-carboxylate
SMILESCOC(=O)C1CN(C=O)c2ccc(Cl)cc21
InChIInChI=1S/C11H10ClNO3/c1-16-11(15)9-5-13(6-14)10-3-2-7(12)4-8(9)10/h2-4,6,9H,5H2,1H3
InChIKeyIHQSNOSGEXAJQK-UHFFFAOYSA-N
XLogP1.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-1-formyl-2,3-dihydroindole-3-carboxylate?
The IUPAC name of methyl 5-chloro-1-formyl-2,3-dihydroindole-3-carboxylate (CID 101231670) is methyl 5-chloro-1-formyl-2,3-dihydroindole-3-carboxylate.
What is the SMILES notation for methyl 5-chloro-1-formyl-2,3-dihydroindole-3-carboxylate?
The canonical SMILES for methyl 5-chloro-1-formyl-2,3-dihydroindole-3-carboxylate is COC(=O)C1CN(C=O)c2ccc(Cl)cc21.
What is the InChIKey of methyl 5-chloro-1-formyl-2,3-dihydroindole-3-carboxylate?
The InChIKey is IHQSNOSGEXAJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-16-11(15)9-5-13(6-14)10-3-2-7(12)4-8(9)10/h2-4,6,9H,5H2,1H3.
What are the key properties of methyl 5-chloro-1-formyl-2,3-dihydroindole-3-carboxylate?
methyl 5-chloro-1-formyl-2,3-dihydroindole-3-carboxylate has a molecular weight of 239.66 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-1-formyl-2,3-dihydroindole-3-carboxylate is sourced from PubChem (CID 101231670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).