2-amino-6-(2-nitroethyl)-2,3-dihydro-1H-inden-5-ol

C11H14N2O3 — CID 166126085

IUPAC2-amino-6-(2-nitroethyl)-2,3-dihydro-1H-inden-5-ol
SMILESNC1Cc2cc(O)c(CC[N+](=O)[O-])cc2C1
InChIInChI=1S/C11H14N2O3/c12-10-4-8-3-7(1-2-13(15)16)11(14)6-9(8)5-10/h3,6,10,14H,1-2,4-5,12H2
InChIKeyDJCJLXWIFZKHFQ-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.64
Rot. Bonds3

About 2-amino-6-(2-nitroethyl)-2,3-dihydro-1H-inden-5-ol

2-amino-6-(2-nitroethyl)-2,3-dihydro-1H-inden-5-ol (PubChem CID 166126085) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-amino-6-(2-nitroethyl)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name2-amino-6-(2-nitroethyl)-2,3-dihydro-1H-inden-5-ol
PubChem CID166126085
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-amino-6-(2-nitroethyl)-2,3-dihydro-1H-inden-5-ol
SMILESNC1Cc2cc(O)c(CC[N+](=O)[O-])cc2C1
InChIInChI=1S/C11H14N2O3/c12-10-4-8-3-7(1-2-13(15)16)11(14)6-9(8)5-10/h3,6,10,14H,1-2,4-5,12H2
InChIKeyDJCJLXWIFZKHFQ-UHFFFAOYSA-N
XLogP0.64
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
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

4-hydroxy-3-(2-nitroethyl)benzoic acid
CID 174575556
(2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 56972107
6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-5-ol
CID 117277759
4-amino-3-(2-nitroethyl)benzoic acid
CID 67243487
7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 23298420
4-iodo-2-(4-nitrobutyl)phenol
CID 125493331
(6S)-6-amino-5,6,7,8-tetrahydronaphthalene-1,2,3-triol
CID 55297577
3-(4-aminobutyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117313250
5-bromo-2,3-dihydro-1H-inden-2-amine
CID 11298795
3-(2,4-dihydroxy-5-nitrophenyl)propanoic acid
CID 112719952
azane;2-(2-hydroxyethyl)-5-nitrophenol
CID 19911095
methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate
CID 14071505

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-nitroethyl)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 2-amino-6-(2-nitroethyl)-2,3-dihydro-1H-inden-5-ol (CID 166126085) is 2-amino-6-(2-nitroethyl)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 2-amino-6-(2-nitroethyl)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 2-amino-6-(2-nitroethyl)-2,3-dihydro-1H-inden-5-ol is NC1Cc2cc(O)c(CC[N+](=O)[O-])cc2C1.
What is the InChIKey of 2-amino-6-(2-nitroethyl)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is DJCJLXWIFZKHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-10-4-8-3-7(1-2-13(15)16)11(14)6-9(8)5-10/h3,6,10,14H,1-2,4-5,12H2.
What are the key properties of 2-amino-6-(2-nitroethyl)-2,3-dihydro-1H-inden-5-ol?
2-amino-6-(2-nitroethyl)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 222.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-nitroethyl)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 166126085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).