1-indol-1-ylethanone;hydrochloride

C10H10ClNO — CID 21333501

IUPAC1-indol-1-ylethanone;hydrochloride
SMILESCC(=O)n1ccc2ccccc21.Cl
InChIInChI=1S/C10H9NO.ClH/c1-8(12)11-7-6-9-4-2-3-5-10(9)11;/h2-7H,1H3;1H
InChIKeyGHAKBSKBXJFWQL-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.72
Rot. Bonds

About 1-indol-1-ylethanone;hydrochloride

1-indol-1-ylethanone;hydrochloride (PubChem CID 21333501) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 1-indol-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-indol-1-ylethanone;hydrochloride
PubChem CID21333501
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name1-indol-1-ylethanone;hydrochloride
SMILESCC(=O)n1ccc2ccccc21.Cl
InChIInChI=1S/C10H9NO.ClH/c1-8(12)11-7-6-9-4-2-3-5-10(9)11;/h2-7H,1H3;1H
InChIKeyGHAKBSKBXJFWQL-UHFFFAOYSA-N
XLogP2.72
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-indol-1-ylethanone;hydrochloride?
The IUPAC name of 1-indol-1-ylethanone;hydrochloride (CID 21333501) is 1-indol-1-ylethanone;hydrochloride.
What is the SMILES notation for 1-indol-1-ylethanone;hydrochloride?
The canonical SMILES for 1-indol-1-ylethanone;hydrochloride is CC(=O)n1ccc2ccccc21.Cl.
What is the InChIKey of 1-indol-1-ylethanone;hydrochloride?
The InChIKey is GHAKBSKBXJFWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.ClH/c1-8(12)11-7-6-9-4-2-3-5-10(9)11;/h2-7H,1H3;1H.
What are the key properties of 1-indol-1-ylethanone;hydrochloride?
1-indol-1-ylethanone;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indol-1-ylethanone;hydrochloride is sourced from PubChem (CID 21333501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).