5-chloro-1-cyclopropyl-7-methylindole-3-carbaldehyde

C13H12ClNO — CID 77230865

IUPAC5-chloro-1-cyclopropyl-7-methylindole-3-carbaldehyde
SMILESCc1cc(Cl)cc2c(C=O)cn(C3CC3)c12
InChIInChI=1S/C13H12ClNO/c1-8-4-10(14)5-12-9(7-16)6-15(13(8)12)11-2-3-11/h4-7,11H,2-3H2,1H3
InChIKeyJDQWOWSTHBSRBG-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.75
Rot. Bonds2

About 5-chloro-1-cyclopropyl-7-methylindole-3-carbaldehyde

5-chloro-1-cyclopropyl-7-methylindole-3-carbaldehyde (PubChem CID 77230865) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 5-chloro-1-cyclopropyl-7-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1-cyclopropyl-7-methylindole-3-carbaldehyde
PubChem CID77230865
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name5-chloro-1-cyclopropyl-7-methylindole-3-carbaldehyde
SMILESCc1cc(Cl)cc2c(C=O)cn(C3CC3)c12
InChIInChI=1S/C13H12ClNO/c1-8-4-10(14)5-12-9(7-16)6-15(13(8)12)11-2-3-11/h4-7,11H,2-3H2,1H3
InChIKeyJDQWOWSTHBSRBG-UHFFFAOYSA-N
XLogP3.75
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-cyclopropyl-7-methylindole-3-carbaldehyde?
The IUPAC name of 5-chloro-1-cyclopropyl-7-methylindole-3-carbaldehyde (CID 77230865) is 5-chloro-1-cyclopropyl-7-methylindole-3-carbaldehyde.
What is the SMILES notation for 5-chloro-1-cyclopropyl-7-methylindole-3-carbaldehyde?
The canonical SMILES for 5-chloro-1-cyclopropyl-7-methylindole-3-carbaldehyde is Cc1cc(Cl)cc2c(C=O)cn(C3CC3)c12.
What is the InChIKey of 5-chloro-1-cyclopropyl-7-methylindole-3-carbaldehyde?
The InChIKey is JDQWOWSTHBSRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-8-4-10(14)5-12-9(7-16)6-15(13(8)12)11-2-3-11/h4-7,11H,2-3H2,1H3.
What are the key properties of 5-chloro-1-cyclopropyl-7-methylindole-3-carbaldehyde?
5-chloro-1-cyclopropyl-7-methylindole-3-carbaldehyde has a molecular weight of 233.70 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-cyclopropyl-7-methylindole-3-carbaldehyde is sourced from PubChem (CID 77230865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).