7-chloro-2-cyclopropyl-1H-indole-3-carbaldehyde

C12H10ClNO — CID 123353144

IUPAC7-chloro-2-cyclopropyl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(C2CC2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C12H10ClNO/c13-10-3-1-2-8-9(6-15)11(7-4-5-7)14-12(8)10/h1-3,6-7,14H,4-5H2
InChIKeyLGFHNJDTMXGMBJ-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.51
Rot. Bonds2

About 7-chloro-2-cyclopropyl-1H-indole-3-carbaldehyde

7-chloro-2-cyclopropyl-1H-indole-3-carbaldehyde (PubChem CID 123353144) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 7-chloro-2-cyclopropyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name7-chloro-2-cyclopropyl-1H-indole-3-carbaldehyde
PubChem CID123353144
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name7-chloro-2-cyclopropyl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(C2CC2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C12H10ClNO/c13-10-3-1-2-8-9(6-15)11(7-4-5-7)14-12(8)10/h1-3,6-7,14H,4-5H2
InChIKeyLGFHNJDTMXGMBJ-UHFFFAOYSA-N
XLogP3.51
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-cyclopropyl-1H-indole-3-carbaldehyde?
The IUPAC name of 7-chloro-2-cyclopropyl-1H-indole-3-carbaldehyde (CID 123353144) is 7-chloro-2-cyclopropyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 7-chloro-2-cyclopropyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 7-chloro-2-cyclopropyl-1H-indole-3-carbaldehyde is O=Cc1c(C2CC2)[nH]c2c(Cl)cccc12.
What is the InChIKey of 7-chloro-2-cyclopropyl-1H-indole-3-carbaldehyde?
The InChIKey is LGFHNJDTMXGMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c13-10-3-1-2-8-9(6-15)11(7-4-5-7)14-12(8)10/h1-3,6-7,14H,4-5H2.
What are the key properties of 7-chloro-2-cyclopropyl-1H-indole-3-carbaldehyde?
7-chloro-2-cyclopropyl-1H-indole-3-carbaldehyde has a molecular weight of 219.67 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-cyclopropyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 123353144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).