[(1R,2R)-2-(5-nitrofuran-2-yl)cyclopropyl]methanamine

C8H10N2O3 — CID 94557659

IUPAC[(1R,2R)-2-(5-nitrofuran-2-yl)cyclopropyl]methanamine
SMILESNC[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C8H10N2O3/c9-4-5-3-6(5)7-1-2-8(13-7)10(11)12/h1-2,5-6H,3-4,9H2/t5-,6+/m0/s1
InChIKeyTVYCVRQLWRQBKZ-NTSWFWBYSA-N
MW182.18 g/mol
LogP1.25
Rot. Bonds3

About [(1R,2R)-2-(5-nitrofuran-2-yl)cyclopropyl]methanamine

[(1R,2R)-2-(5-nitrofuran-2-yl)cyclopropyl]methanamine (PubChem CID 94557659) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is [(1R,2R)-2-(5-nitrofuran-2-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,2R)-2-(5-nitrofuran-2-yl)cyclopropyl]methanamine
PubChem CID94557659
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name[(1R,2R)-2-(5-nitrofuran-2-yl)cyclopropyl]methanamine
SMILESNC[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C8H10N2O3/c9-4-5-3-6(5)7-1-2-8(13-7)10(11)12/h1-2,5-6H,3-4,9H2/t5-,6+/m0/s1
InChIKeyTVYCVRQLWRQBKZ-NTSWFWBYSA-N
XLogP1.25
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.25
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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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(5-nitrofuran-2-yl)cyclopropyl]methanamine?
The IUPAC name of [(1R,2R)-2-(5-nitrofuran-2-yl)cyclopropyl]methanamine (CID 94557659) is [(1R,2R)-2-(5-nitrofuran-2-yl)cyclopropyl]methanamine.
What is the SMILES notation for [(1R,2R)-2-(5-nitrofuran-2-yl)cyclopropyl]methanamine?
The canonical SMILES for [(1R,2R)-2-(5-nitrofuran-2-yl)cyclopropyl]methanamine is NC[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])o1.
What is the InChIKey of [(1R,2R)-2-(5-nitrofuran-2-yl)cyclopropyl]methanamine?
The InChIKey is TVYCVRQLWRQBKZ-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H10N2O3/c9-4-5-3-6(5)7-1-2-8(13-7)10(11)12/h1-2,5-6H,3-4,9H2/t5-,6+/m0/s1.
What are the key properties of [(1R,2R)-2-(5-nitrofuran-2-yl)cyclopropyl]methanamine?
[(1R,2R)-2-(5-nitrofuran-2-yl)cyclopropyl]methanamine has a molecular weight of 182.18 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(5-nitrofuran-2-yl)cyclopropyl]methanamine is sourced from PubChem (CID 94557659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).