5-(2-chloroacetyl)-2,3-dihydro-1H-indole-2-carbaldehyde

C11H10ClNO2 — CID 175124187

IUPAC5-(2-chloroacetyl)-2,3-dihydro-1H-indole-2-carbaldehyde
SMILESO=CC1Cc2cc(C(=O)CCl)ccc2N1
InChIInChI=1S/C11H10ClNO2/c12-5-11(15)7-1-2-10-8(3-7)4-9(6-14)13-10/h1-3,6,9,13H,4-5H2
InChIKeySMHHNUGZVQHMOO-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.64
Rot. Bonds3

About 5-(2-chloroacetyl)-2,3-dihydro-1H-indole-2-carbaldehyde

5-(2-chloroacetyl)-2,3-dihydro-1H-indole-2-carbaldehyde (PubChem CID 175124187) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 5-(2-chloroacetyl)-2,3-dihydro-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-chloroacetyl)-2,3-dihydro-1H-indole-2-carbaldehyde
PubChem CID175124187
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name5-(2-chloroacetyl)-2,3-dihydro-1H-indole-2-carbaldehyde
SMILESO=CC1Cc2cc(C(=O)CCl)ccc2N1
InChIInChI=1S/C11H10ClNO2/c12-5-11(15)7-1-2-10-8(3-7)4-9(6-14)13-10/h1-3,6,9,13H,4-5H2
InChIKeySMHHNUGZVQHMOO-UHFFFAOYSA-N
XLogP1.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroacetyl)-2,3-dihydro-1H-indole-2-carbaldehyde?
The IUPAC name of 5-(2-chloroacetyl)-2,3-dihydro-1H-indole-2-carbaldehyde (CID 175124187) is 5-(2-chloroacetyl)-2,3-dihydro-1H-indole-2-carbaldehyde.
What is the SMILES notation for 5-(2-chloroacetyl)-2,3-dihydro-1H-indole-2-carbaldehyde?
The canonical SMILES for 5-(2-chloroacetyl)-2,3-dihydro-1H-indole-2-carbaldehyde is O=CC1Cc2cc(C(=O)CCl)ccc2N1.
What is the InChIKey of 5-(2-chloroacetyl)-2,3-dihydro-1H-indole-2-carbaldehyde?
The InChIKey is SMHHNUGZVQHMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c12-5-11(15)7-1-2-10-8(3-7)4-9(6-14)13-10/h1-3,6,9,13H,4-5H2.
What are the key properties of 5-(2-chloroacetyl)-2,3-dihydro-1H-indole-2-carbaldehyde?
5-(2-chloroacetyl)-2,3-dihydro-1H-indole-2-carbaldehyde has a molecular weight of 223.66 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroacetyl)-2,3-dihydro-1H-indole-2-carbaldehyde is sourced from PubChem (CID 175124187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).