(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;nitric acid

C9H12N2O4 — CID 11435788

IUPAC(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;nitric acid
SMILESN[C@@H]1c2ccccc2C[C@H]1O.O=[N+]([O-])O
InChIInChI=1S/C9H11NO.HNO3/c10-9-7-4-2-1-3-6(7)5-8(9)11;2-1(3)4/h1-4,8-9,11H,5,10H2;(H,2,3,4)/t8-,9-;/m1./s1
InChIKeyBJFHMUHQNWSHTL-VTLYIQCISA-N
MW212.21 g/mol
LogP0.26
Rot. Bonds

About (1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;nitric acid

(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;nitric acid (PubChem CID 11435788) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is (1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;nitric acid.

Molecular Properties

Compound Name(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;nitric acid
PubChem CID11435788
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;nitric acid
SMILESN[C@@H]1c2ccccc2C[C@H]1O.O=[N+]([O-])O
InChIInChI=1S/C9H11NO.HNO3/c10-9-7-4-2-1-3-6(7)5-8(9)11;2-1(3)4/h1-4,8-9,11H,5,10H2;(H,2,3,4)/t8-,9-;/m1./s1
InChIKeyBJFHMUHQNWSHTL-VTLYIQCISA-N
XLogP0.26
TPSA109.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.26
H-Bond Donors ≤ 53
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

(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 122360167
2,3-dihydro-1H-indene-1,2-diamine
CID 10986398
(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70327463
acetyl acetate;(1R,2S)-1-amino-2,3-dihydro-1H-inden-2-ol;1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propan-2-one
CID 161496326
1-amino-6-nitro-2,3-dihydro-1H-inden-2-ol;1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol
CID 54498060
(1R,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride
CID 172885282
2-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 115980833
(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
2-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 63062129
(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 51899506
2-chloro-2,3-dihydro-1H-inden-1-amine
CID 2794190
(1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine
CID 131850845

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;nitric acid?
The IUPAC name of (1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;nitric acid (CID 11435788) is (1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;nitric acid.
What is the SMILES notation for (1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;nitric acid?
The canonical SMILES for (1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;nitric acid is N[C@@H]1c2ccccc2C[C@H]1O.O=[N+]([O-])O.
What is the InChIKey of (1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;nitric acid?
The InChIKey is BJFHMUHQNWSHTL-VTLYIQCISA-N. The full InChI is InChI=1S/C9H11NO.HNO3/c10-9-7-4-2-1-3-6(7)5-8(9)11;2-1(3)4/h1-4,8-9,11H,5,10H2;(H,2,3,4)/t8-,9-;/m1./s1.
What are the key properties of (1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;nitric acid?
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;nitric acid has a molecular weight of 212.21 g/mol, XLogP of 0.26, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;nitric acid is sourced from PubChem (CID 11435788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).