(2S)-2-amino-1-(4-nitro-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride

C11H14ClN3O3 — CID 119326470

IUPAC(2S)-2-amino-1-(4-nitro-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
SMILESC[C@H](N)C(=O)N1CCc2c1cccc2[N+](=O)[O-].Cl
InChIInChI=1S/C11H13N3O3.ClH/c1-7(12)11(15)13-6-5-8-9(13)3-2-4-10(8)14(16)17;/h2-4,7H,5-6,12H2,1H3;1H/t7-;/m0./s1
InChIKeyBYSILYYSWGJVNR-FJXQXJEOSA-N
MW271.70 g/mol
LogP1.25
Rot. Bonds2

About (2S)-2-amino-1-(4-nitro-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride

(2S)-2-amino-1-(4-nitro-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride (PubChem CID 119326470) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-nitro-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-nitro-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
PubChem CID119326470
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name(2S)-2-amino-1-(4-nitro-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
SMILESC[C@H](N)C(=O)N1CCc2c1cccc2[N+](=O)[O-].Cl
InChIInChI=1S/C11H13N3O3.ClH/c1-7(12)11(15)13-6-5-8-9(13)3-2-4-10(8)14(16)17;/h2-4,7H,5-6,12H2,1H3;1H/t7-;/m0./s1
InChIKeyBYSILYYSWGJVNR-FJXQXJEOSA-N
XLogP1.25
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
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(4-nitro-2,3-dihydroindol-1-yl) butanoate
CID 174469221
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propan-1-one
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morpholin-2-yl-(4-nitro-2,3-dihydroindol-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-nitro-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-(4-nitro-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride (CID 119326470) is (2S)-2-amino-1-(4-nitro-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-(4-nitro-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-(4-nitro-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride is C[C@H](N)C(=O)N1CCc2c1cccc2[N+](=O)[O-].Cl.
What is the InChIKey of (2S)-2-amino-1-(4-nitro-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride?
The InChIKey is BYSILYYSWGJVNR-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H13N3O3.ClH/c1-7(12)11(15)13-6-5-8-9(13)3-2-4-10(8)14(16)17;/h2-4,7H,5-6,12H2,1H3;1H/t7-;/m0./s1.
What are the key properties of (2S)-2-amino-1-(4-nitro-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride?
(2S)-2-amino-1-(4-nitro-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride has a molecular weight of 271.70 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-nitro-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119326470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).