6-nitro-2,3-dihydro-1-benzofuran-5-amine

C8H8N2O3 — CID 13069187

IUPAC6-nitro-2,3-dihydro-1-benzofuran-5-amine
SMILESNc1cc2c(cc1[N+](=O)[O-])OCC2
InChIInChI=1S/C8H8N2O3/c9-6-3-5-1-2-13-8(5)4-7(6)10(11)12/h3-4H,1-2,9H2
InChIKeyBTYCNIIIWYDUOF-UHFFFAOYSA-N
MW180.16 g/mol
LogP1.11
Rot. Bonds1

About 6-nitro-2,3-dihydro-1-benzofuran-5-amine

6-nitro-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 13069187) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 6-nitro-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound Name6-nitro-2,3-dihydro-1-benzofuran-5-amine
PubChem CID13069187
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name6-nitro-2,3-dihydro-1-benzofuran-5-amine
SMILESNc1cc2c(cc1[N+](=O)[O-])OCC2
InChIInChI=1S/C8H8N2O3/c9-6-3-5-1-2-13-8(5)4-7(6)10(11)12/h3-4H,1-2,9H2
InChIKeyBTYCNIIIWYDUOF-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
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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Related Compounds

4-Ethoxy-2-nitroaniline
CID 69229
4-Benzyloxy-2-nitroaniline
CID 261497
5-Ethoxy-2-nitroaniline
CID 5141789
2-Nitro-5-propoxyaniline
CID 4120876
2-(4-Amino-3-nitrophenoxy)-5-nitrobenzonitrile
CID 44579799
4-Allyloxy-2-nitro-aniline
CID 358073
2,3-Dihydro-1-benzofuran-6-amine
CID 12369044
5-Nitro-2,3-dihydro-1-benzofuran
CID 21816585
4-Methoxy-5-methylbenzene-1,2-diamine
CID 22478091
5-Nitro-2,3-dihydro-1-benzofuran-6-amine
CID 25139753
5-Methoxy-4-methyl-2-nitroaniline
CID 51051616
6-Fluoro-5-nitro-2,3-dihydro-1-benzofuran
CID 117654055

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of 6-nitro-2,3-dihydro-1-benzofuran-5-amine (CID 13069187) is 6-nitro-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for 6-nitro-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for 6-nitro-2,3-dihydro-1-benzofuran-5-amine is Nc1cc2c(cc1[N+](=O)[O-])OCC2.
What is the InChIKey of 6-nitro-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is BTYCNIIIWYDUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c9-6-3-5-1-2-13-8(5)4-7(6)10(11)12/h3-4H,1-2,9H2.
What are the key properties of 6-nitro-2,3-dihydro-1-benzofuran-5-amine?
6-nitro-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 180.16 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 13069187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).