1-(2-amino-5-nitrophenyl)-1-iminopropan-2-ol

C9H11N3O3 — CID 155482630

IUPAC1-(2-amino-5-nitrophenyl)-1-iminopropan-2-ol
SMILES[H]/N=C(/c1cc([N+](=O)[O-])ccc1N)C(C)O
InChIInChI=1S/C9H11N3O3/c1-5(13)9(11)7-4-6(12(14)15)2-3-8(7)10/h2-5,11,13H,10H2,1H3/b11-9+
InChIKeyMRUSMUINANZHCK-PKNBQFBNSA-N
MW209.21 g/mol
LogP0.93
Rot. Bonds3

About 1-(2-amino-5-nitrophenyl)-1-iminopropan-2-ol

1-(2-amino-5-nitrophenyl)-1-iminopropan-2-ol (PubChem CID 155482630) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-(2-amino-5-nitrophenyl)-1-iminopropan-2-ol.

Molecular Properties

Compound Name1-(2-amino-5-nitrophenyl)-1-iminopropan-2-ol
PubChem CID155482630
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name1-(2-amino-5-nitrophenyl)-1-iminopropan-2-ol
SMILES[H]/N=C(/c1cc([N+](=O)[O-])ccc1N)C(C)O
InChIInChI=1S/C9H11N3O3/c1-5(13)9(11)7-4-6(12(14)15)2-3-8(7)10/h2-5,11,13H,10H2,1H3/b11-9+
InChIKeyMRUSMUINANZHCK-PKNBQFBNSA-N
XLogP0.93
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-nitrobenzenecarboximidamide
CID 23570805
4-nitro-2-(2,2,2-trifluoroethanimidoyl)aniline
CID 155135045
2-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enimidoyl]-4-nitroaniline
CID 155482293
potassium 2-amino-5-nitrobenzoate
CID 171152190
1-methoxyethyl 2-amino-5-nitrobenzoate
CID 70628050
1-(2-amino-5-nitrophenoxy)ethanol
CID 70496099
2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide
CID 62155970
2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-5-nitrobenzamide
CID 62059014
2-amino-N-(4-methoxybutan-2-yl)-5-nitrobenzamide
CID 64605955
(2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone
CID 11580100
1-(2-amino-5-nitrophenyl)sulfonylethanol
CID 67948143
2-(3,3-dimethylbut-1-en-2-yl)-4-nitroaniline;ethane
CID 143559037

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-nitrophenyl)-1-iminopropan-2-ol?
The IUPAC name of 1-(2-amino-5-nitrophenyl)-1-iminopropan-2-ol (CID 155482630) is 1-(2-amino-5-nitrophenyl)-1-iminopropan-2-ol.
What is the SMILES notation for 1-(2-amino-5-nitrophenyl)-1-iminopropan-2-ol?
The canonical SMILES for 1-(2-amino-5-nitrophenyl)-1-iminopropan-2-ol is [H]/N=C(/c1cc([N+](=O)[O-])ccc1N)C(C)O.
What is the InChIKey of 1-(2-amino-5-nitrophenyl)-1-iminopropan-2-ol?
The InChIKey is MRUSMUINANZHCK-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-5(13)9(11)7-4-6(12(14)15)2-3-8(7)10/h2-5,11,13H,10H2,1H3/b11-9+.
What are the key properties of 1-(2-amino-5-nitrophenyl)-1-iminopropan-2-ol?
1-(2-amino-5-nitrophenyl)-1-iminopropan-2-ol has a molecular weight of 209.21 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-nitrophenyl)-1-iminopropan-2-ol is sourced from PubChem (CID 155482630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).