(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride

C12H17ClN2O2 — CID 119310076

IUPAC(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
SMILESCOc1ccc2c(c1)CCN2C(=O)[C@H](C)N.Cl
InChIInChI=1S/C12H16N2O2.ClH/c1-8(13)12(15)14-6-5-9-7-10(16-2)3-4-11(9)14;/h3-4,7-8H,5-6,13H2,1-2H3;1H/t8-;/m0./s1
InChIKeyAKFRMPSXIZJOGO-QRPNPIFTSA-N
MW256.73 g/mol
LogP1.35
Rot. Bonds2

About (2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride

(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride (PubChem CID 119310076) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is (2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
PubChem CID119310076
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
SMILESCOc1ccc2c(c1)CCN2C(=O)[C@H](C)N.Cl
InChIInChI=1S/C12H16N2O2.ClH/c1-8(13)12(15)14-6-5-9-7-10(16-2)3-4-11(9)14;/h3-4,7-8H,5-6,13H2,1-2H3;1H/t8-;/m0./s1
InChIKeyAKFRMPSXIZJOGO-QRPNPIFTSA-N
XLogP1.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride (CID 119310076) is (2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride is COc1ccc2c(c1)CCN2C(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride?
The InChIKey is AKFRMPSXIZJOGO-QRPNPIFTSA-N. The full InChI is InChI=1S/C12H16N2O2.ClH/c1-8(13)12(15)14-6-5-9-7-10(16-2)3-4-11(9)14;/h3-4,7-8H,5-6,13H2,1-2H3;1H/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride?
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride has a molecular weight of 256.73 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119310076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).