3-(2,3-dihydro-1H-indol-5-yl)prop-2-en-1-amine

C11H14N2 — CID 169463690

IUPAC3-(2,3-dihydro-1H-indol-5-yl)prop-2-en-1-amine
SMILESNCC=Cc1ccc2c(c1)CCN2
InChIInChI=1S/C11H14N2/c12-6-1-2-9-3-4-11-10(8-9)5-7-13-11/h1-4,8,13H,5-7,12H2
InChIKeyOWWUIRUTBBGZMM-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.63
Rot. Bonds2

About 3-(2,3-dihydro-1H-indol-5-yl)prop-2-en-1-amine

3-(2,3-dihydro-1H-indol-5-yl)prop-2-en-1-amine (PubChem CID 169463690) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-5-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-5-yl)prop-2-en-1-amine
PubChem CID169463690
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3-(2,3-dihydro-1H-indol-5-yl)prop-2-en-1-amine
SMILESNCC=Cc1ccc2c(c1)CCN2
InChIInChI=1S/C11H14N2/c12-6-1-2-9-3-4-11-10(8-9)5-7-13-11/h1-4,8,13H,5-7,12H2
InChIKeyOWWUIRUTBBGZMM-UHFFFAOYSA-N
XLogP1.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)prop-2-en-1-amine?
The IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)prop-2-en-1-amine (CID 169463690) is 3-(2,3-dihydro-1H-indol-5-yl)prop-2-en-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-5-yl)prop-2-en-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-5-yl)prop-2-en-1-amine is NCC=Cc1ccc2c(c1)CCN2.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-5-yl)prop-2-en-1-amine?
The InChIKey is OWWUIRUTBBGZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c12-6-1-2-9-3-4-11-10(8-9)5-7-13-11/h1-4,8,13H,5-7,12H2.
What are the key properties of 3-(2,3-dihydro-1H-indol-5-yl)prop-2-en-1-amine?
3-(2,3-dihydro-1H-indol-5-yl)prop-2-en-1-amine has a molecular weight of 174.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-5-yl)prop-2-en-1-amine is sourced from PubChem (CID 169463690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).