(2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride

C9H11ClN2O2 — CID 56972107

IUPAC(2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCl.N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1
InChIInChI=1S/C9H10N2O2.ClH/c10-8-3-6-1-2-9(11(12)13)5-7(6)4-8;/h1-2,5,8H,3-4,10H2;1H/t8-;/m0./s1
InChIKeyFFGLVSGGGJOMQY-QRPNPIFTSA-N
MW214.65 g/mol
LogP1.44
Rot. Bonds1

About (2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride

(2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride (PubChem CID 56972107) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is (2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride
PubChem CID56972107
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name(2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCl.N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1
InChIInChI=1S/C9H10N2O2.ClH/c10-8-3-6-1-2-9(11(12)13)5-7(6)4-8;/h1-2,5,8H,3-4,10H2;1H/t8-;/m0./s1
InChIKeyFFGLVSGGGJOMQY-QRPNPIFTSA-N
XLogP1.44
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 23298420
3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
CID 66694887
2-(5-nitro-2,3-dihydro-1H-inden-2-yl)ethyl acetate
CID 25139339
(3R)-3-methyl-7-nitro-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 132599419
2-[(2S)-5-nitro-2,3-dihydro-1H-inden-2-yl]isoindole-1,3-dione
CID 95608266
(1R)-6-nitro-2,3-dihydro-1H-inden-1-amine
CID 55278481
N-benzyl-5-nitro-2,3-dihydro-1H-inden-2-amine
CID 23211051
6-nitro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 86114706
N-methyl-5-nitro-N-[2-(4-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 14835241
2,6-dinitro-9H-fluorene
CID 3582885
2,2-dimethyl-1-(5-nitro-2,3-dihydro-1H-inden-2-yl)piperidine
CID 174733912
2-methyl-5-nitro-2,3-dihydroindol-1-amine
CID 154151667

Frequently Asked Questions

What is the IUPAC name of (2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The IUPAC name of (2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride (CID 56972107) is (2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride.
What is the SMILES notation for (2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The canonical SMILES for (2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride is Cl.N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1.
What is the InChIKey of (2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The InChIKey is FFGLVSGGGJOMQY-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H10N2O2.ClH/c10-8-3-6-1-2-9(11(12)13)5-7(6)4-8;/h1-2,5,8H,3-4,10H2;1H/t8-;/m0./s1.
What are the key properties of (2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride?
(2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride has a molecular weight of 214.65 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride is sourced from PubChem (CID 56972107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).