1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]propan-1-one

C13H18N2O — CID 63235471

IUPAC1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC(=O)N1CC(CCN)c2ccccc21
InChIInChI=1S/C13H18N2O/c1-2-13(16)15-9-10(7-8-14)11-5-3-4-6-12(11)15/h3-6,10H,2,7-9,14H2,1H3
InChIKeyCAEHKWQQKBXVTR-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.88
Rot. Bonds3

About 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]propan-1-one

1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 63235471) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID63235471
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC(=O)N1CC(CCN)c2ccccc21
InChIInChI=1S/C13H18N2O/c1-2-13(16)15-9-10(7-8-14)11-5-3-4-6-12(11)15/h3-6,10H,2,7-9,14H2,1H3
InChIKeyCAEHKWQQKBXVTR-UHFFFAOYSA-N
XLogP1.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]propan-1-one (CID 63235471) is 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]propan-1-one is CCC(=O)N1CC(CCN)c2ccccc21.
What is the InChIKey of 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is CAEHKWQQKBXVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-13(16)15-9-10(7-8-14)11-5-3-4-6-12(11)15/h3-6,10H,2,7-9,14H2,1H3.
What are the key properties of 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]propan-1-one?
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 218.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 63235471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).