(3R)-7-nitro-2,3-dihydro-1-benzofuran-3-amine

C8H8N2O3 — CID 130686465

IUPAC(3R)-7-nitro-2,3-dihydro-1-benzofuran-3-amine
SMILESN[C@H]1COc2c1cccc2[N+](=O)[O-]
InChIInChI=1S/C8H8N2O3/c9-6-4-13-8-5(6)2-1-3-7(8)10(11)12/h1-3,6H,4,9H2/t6-/m0/s1
InChIKeyRVRFTRCGXUZLCC-LURJTMIESA-N
MW180.16 g/mol
LogP0.99
Rot. Bonds1

About (3R)-7-nitro-2,3-dihydro-1-benzofuran-3-amine

(3R)-7-nitro-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 130686465) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is (3R)-7-nitro-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name(3R)-7-nitro-2,3-dihydro-1-benzofuran-3-amine
PubChem CID130686465
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name(3R)-7-nitro-2,3-dihydro-1-benzofuran-3-amine
SMILESN[C@H]1COc2c1cccc2[N+](=O)[O-]
InChIInChI=1S/C8H8N2O3/c9-6-4-13-8-5(6)2-1-3-7(8)10(11)12/h1-3,6H,4,9H2/t6-/m0/s1
InChIKeyRVRFTRCGXUZLCC-LURJTMIESA-N
XLogP0.99
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.99
H-Bond Donors ≤ 51
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

7-nitro-2,3-dihydro-1-benzofuran-3-amine
CID 55294579
3-amino-7-nitro-2,3-dihydro-1-benzofuran-6-ol
CID 55268871
(3S)-3-amino-2,3-dihydro-1-benzofuran-7-thiol
CID 55294351
(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine
CID 40787213
(3R)-7-chloro-4-nitro-2,3-dihydro-1-benzofuran-3-amine
CID 130707398
(2R)-2-methoxy-5-nitro-2,3-dihydro-1,4-benzodioxine
CID 174356582
(3R)-7-ethenyl-2,3-dihydro-1-benzofuran-3-amine
CID 130739093
7-phenyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511966
3-amino-6-nitro-2,3-dihydro-1-benzofuran-5-ol
CID 130054168
2-nitro-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
CID 21467393
3-bromo-2,2-dimethyl-7-nitro-3H-1-benzofuran
CID 22404724
3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol
CID 55292297

Frequently Asked Questions

What is the IUPAC name of (3R)-7-nitro-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of (3R)-7-nitro-2,3-dihydro-1-benzofuran-3-amine (CID 130686465) is (3R)-7-nitro-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for (3R)-7-nitro-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for (3R)-7-nitro-2,3-dihydro-1-benzofuran-3-amine is N[C@H]1COc2c1cccc2[N+](=O)[O-].
What is the InChIKey of (3R)-7-nitro-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is RVRFTRCGXUZLCC-LURJTMIESA-N. The full InChI is InChI=1S/C8H8N2O3/c9-6-4-13-8-5(6)2-1-3-7(8)10(11)12/h1-3,6H,4,9H2/t6-/m0/s1.
What are the key properties of (3R)-7-nitro-2,3-dihydro-1-benzofuran-3-amine?
(3R)-7-nitro-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 180.16 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-nitro-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 130686465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).