4,5-dichloro-2,3-dihydro-1H-indole

C8H7Cl2N — CID 18940894

IUPAC4,5-dichloro-2,3-dihydro-1H-indole
SMILESClc1ccc2c(c1Cl)CCN2
InChIInChI=1S/C8H7Cl2N/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-2,11H,3-4H2
InChIKeyKOKCBQMIPIZDIU-UHFFFAOYSA-N
MW188.06 g/mol
LogP2.96
Rot. Bonds

About 4,5-dichloro-2,3-dihydro-1H-indole

4,5-dichloro-2,3-dihydro-1H-indole (PubChem CID 18940894) has the molecular formula C8H7Cl2N and a molecular weight of 188.06 g/mol. Its IUPAC name is 4,5-dichloro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4,5-dichloro-2,3-dihydro-1H-indole
PubChem CID18940894
Molecular FormulaC8H7Cl2N
Molecular Weight188.06 g/mol
Exact Mass187.00
IUPAC Name4,5-dichloro-2,3-dihydro-1H-indole
SMILESClc1ccc2c(c1Cl)CCN2
InChIInChI=1S/C8H7Cl2N/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-2,11H,3-4H2
InChIKeyKOKCBQMIPIZDIU-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.06
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2,3-dihydro-1H-indole?
The IUPAC name of 4,5-dichloro-2,3-dihydro-1H-indole (CID 18940894) is 4,5-dichloro-2,3-dihydro-1H-indole.
What is the SMILES notation for 4,5-dichloro-2,3-dihydro-1H-indole?
The canonical SMILES for 4,5-dichloro-2,3-dihydro-1H-indole is Clc1ccc2c(c1Cl)CCN2.
What is the InChIKey of 4,5-dichloro-2,3-dihydro-1H-indole?
The InChIKey is KOKCBQMIPIZDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-2,11H,3-4H2.
What are the key properties of 4,5-dichloro-2,3-dihydro-1H-indole?
4,5-dichloro-2,3-dihydro-1H-indole has a molecular weight of 188.06 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2,3-dihydro-1H-indole is sourced from PubChem (CID 18940894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).