(1R)-6-nitro-2,3-dihydro-1H-inden-1-amine

C9H10N2O2 — CID 55278481

IUPAC(1R)-6-nitro-2,3-dihydro-1H-inden-1-amine
SMILESN[C@@H]1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C9H10N2O2/c10-9-4-2-6-1-3-7(11(12)13)5-8(6)9/h1,3,5,9H,2,4,10H2/t9-/m1/s1
InChIKeyROSHRXGQJBKFEG-SECBINFHSA-N
MW178.19 g/mol
LogP1.54
Rot. Bonds1

About (1R)-6-nitro-2,3-dihydro-1H-inden-1-amine

(1R)-6-nitro-2,3-dihydro-1H-inden-1-amine (PubChem CID 55278481) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is (1R)-6-nitro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-6-nitro-2,3-dihydro-1H-inden-1-amine
PubChem CID55278481
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name(1R)-6-nitro-2,3-dihydro-1H-inden-1-amine
SMILESN[C@@H]1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C9H10N2O2/c10-9-4-2-6-1-3-7(11(12)13)5-8(6)9/h1,3,5,9H,2,4,10H2/t9-/m1/s1
InChIKeyROSHRXGQJBKFEG-SECBINFHSA-N
XLogP1.54
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.54
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

3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
CID 66694887
N,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine
CID 54164704
7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 23298420
7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 11008778
3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 22391802
(4aS,10bS)-9-nitro-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
CID 68912616
3,3-dimethyl-6-nitro-1,2-dihydroinden-1-amine
CID 19365901
N-benzyl-6-nitro-2,3-dihydro-1H-inden-1-amine
CID 23298449
6-nitro-2,3,4,9-tetrahydro-1H-fluoren-1-amine
CID 160597163
(2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 56972107
(2S)-2-methyl-7-nitro-1,2,3,4-tetrahydroquinoline
CID 129394828
2-cyclopentyl-4-nitroaniline
CID 68656772

Frequently Asked Questions

What is the IUPAC name of (1R)-6-nitro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-6-nitro-2,3-dihydro-1H-inden-1-amine (CID 55278481) is (1R)-6-nitro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-6-nitro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-6-nitro-2,3-dihydro-1H-inden-1-amine is N[C@@H]1CCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of (1R)-6-nitro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ROSHRXGQJBKFEG-SECBINFHSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-9-4-2-6-1-3-7(11(12)13)5-8(6)9/h1,3,5,9H,2,4,10H2/t9-/m1/s1.
What are the key properties of (1R)-6-nitro-2,3-dihydro-1H-inden-1-amine?
(1R)-6-nitro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 178.19 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-nitro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 55278481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).