(1S)-6-nitro-2,3-dihydro-1H-indene-1,7-diamine

C9H11N3O2 — CID 130657856

IUPAC(1S)-6-nitro-2,3-dihydro-1H-indene-1,7-diamine
SMILESNc1c([N+](=O)[O-])ccc2c1[C@@H](N)CC2
InChIInChI=1S/C9H11N3O2/c10-6-3-1-5-2-4-7(12(13)14)9(11)8(5)6/h2,4,6H,1,3,10-11H2/t6-/m0/s1
InChIKeyOFPYWIABFXAOSX-LURJTMIESA-N
MW193.21 g/mol
LogP1.12
Rot. Bonds1

About (1S)-6-nitro-2,3-dihydro-1H-indene-1,7-diamine

(1S)-6-nitro-2,3-dihydro-1H-indene-1,7-diamine (PubChem CID 130657856) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is (1S)-6-nitro-2,3-dihydro-1H-indene-1,7-diamine.

Molecular Properties

Compound Name(1S)-6-nitro-2,3-dihydro-1H-indene-1,7-diamine
PubChem CID130657856
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name(1S)-6-nitro-2,3-dihydro-1H-indene-1,7-diamine
SMILESNc1c([N+](=O)[O-])ccc2c1[C@@H](N)CC2
InChIInChI=1S/C9H11N3O2/c10-6-3-1-5-2-4-7(12(13)14)9(11)8(5)6/h2,4,6H,1,3,10-11H2/t6-/m0/s1
InChIKeyOFPYWIABFXAOSX-LURJTMIESA-N
XLogP1.12
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-6-nitro-2,3-dihydro-1H-indene-1,7-diamine?
The IUPAC name of (1S)-6-nitro-2,3-dihydro-1H-indene-1,7-diamine (CID 130657856) is (1S)-6-nitro-2,3-dihydro-1H-indene-1,7-diamine.
What is the SMILES notation for (1S)-6-nitro-2,3-dihydro-1H-indene-1,7-diamine?
The canonical SMILES for (1S)-6-nitro-2,3-dihydro-1H-indene-1,7-diamine is Nc1c([N+](=O)[O-])ccc2c1[C@@H](N)CC2.
What is the InChIKey of (1S)-6-nitro-2,3-dihydro-1H-indene-1,7-diamine?
The InChIKey is OFPYWIABFXAOSX-LURJTMIESA-N. The full InChI is InChI=1S/C9H11N3O2/c10-6-3-1-5-2-4-7(12(13)14)9(11)8(5)6/h2,4,6H,1,3,10-11H2/t6-/m0/s1.
What are the key properties of (1S)-6-nitro-2,3-dihydro-1H-indene-1,7-diamine?
(1S)-6-nitro-2,3-dihydro-1H-indene-1,7-diamine has a molecular weight of 193.21 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-nitro-2,3-dihydro-1H-indene-1,7-diamine is sourced from PubChem (CID 130657856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).