[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(5-chlorofuran-2-yl)methanone

C15H15ClN2O2 — CID 63235429

IUPAC[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(5-chlorofuran-2-yl)methanone
SMILESNCCC1CN(C(=O)c2ccc(Cl)o2)c2ccccc21
InChIInChI=1S/C15H15ClN2O2/c16-14-6-5-13(20-14)15(19)18-9-10(7-8-17)11-3-1-2-4-12(11)18/h1-6,10H,7-9,17H2
InChIKeyHIJWINJZPAKKNX-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.03
Rot. Bonds3

About [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(5-chlorofuran-2-yl)methanone

[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(5-chlorofuran-2-yl)methanone (PubChem CID 63235429) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(5-chlorofuran-2-yl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(5-chlorofuran-2-yl)methanone
PubChem CID63235429
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(5-chlorofuran-2-yl)methanone
SMILESNCCC1CN(C(=O)c2ccc(Cl)o2)c2ccccc21
InChIInChI=1S/C15H15ClN2O2/c16-14-6-5-13(20-14)15(19)18-9-10(7-8-17)11-3-1-2-4-12(11)18/h1-6,10H,7-9,17H2
InChIKeyHIJWINJZPAKKNX-UHFFFAOYSA-N
XLogP3.03
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(5-chlorofuran-2-yl)methanone?
The IUPAC name of [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(5-chlorofuran-2-yl)methanone (CID 63235429) is [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(5-chlorofuran-2-yl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(5-chlorofuran-2-yl)methanone?
The canonical SMILES for [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(5-chlorofuran-2-yl)methanone is NCCC1CN(C(=O)c2ccc(Cl)o2)c2ccccc21.
What is the InChIKey of [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(5-chlorofuran-2-yl)methanone?
The InChIKey is HIJWINJZPAKKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-14-6-5-13(20-14)15(19)18-9-10(7-8-17)11-3-1-2-4-12(11)18/h1-6,10H,7-9,17H2.
What are the key properties of [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(5-chlorofuran-2-yl)methanone?
[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(5-chlorofuran-2-yl)methanone has a molecular weight of 290.75 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(5-chlorofuran-2-yl)methanone is sourced from PubChem (CID 63235429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).