(R)-(5-nitrofuran-2-yl)-(oxan-4-yl)methanamine

C10H14N2O4 — CID 131293376

IUPAC(R)-(5-nitrofuran-2-yl)-(oxan-4-yl)methanamine
SMILESN[C@@H](c1ccc([N+](=O)[O-])o1)C1CCOCC1
InChIInChI=1S/C10H14N2O4/c11-10(7-3-5-15-6-4-7)8-1-2-9(16-8)12(13)14/h1-2,7,10H,3-6,11H2/t10-/m1/s1
InChIKeyUGYHZDSXURULPE-SNVBAGLBSA-N
MW226.23 g/mol
LogP1.61
Rot. Bonds3

About (R)-(5-nitrofuran-2-yl)-(oxan-4-yl)methanamine

(R)-(5-nitrofuran-2-yl)-(oxan-4-yl)methanamine (PubChem CID 131293376) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is (R)-(5-nitrofuran-2-yl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(R)-(5-nitrofuran-2-yl)-(oxan-4-yl)methanamine
PubChem CID131293376
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name(R)-(5-nitrofuran-2-yl)-(oxan-4-yl)methanamine
SMILESN[C@@H](c1ccc([N+](=O)[O-])o1)C1CCOCC1
InChIInChI=1S/C10H14N2O4/c11-10(7-3-5-15-6-4-7)8-1-2-9(16-8)12(13)14/h1-2,7,10H,3-6,11H2/t10-/m1/s1
InChIKeyUGYHZDSXURULPE-SNVBAGLBSA-N
XLogP1.61
TPSA91.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(S)-cyclobutyl-(5-nitrofuran-2-yl)methanamine;hydrochloride
CID 171217872
(S)-(5-ethylfuran-2-yl)-(oxan-4-yl)methanamine
CID 94891967
[5-[(R)-amino(oxan-4-yl)methyl]furan-2-yl]methanol
CID 131528338
3-[(S)-amino(oxan-4-yl)methyl]-4-nitrophenol;hydrochloride
CID 171241780
(S)-(5-fluoro-2-nitrophenyl)-(oxan-4-yl)methanamine
CID 171241629
5-[(R)-amino(oxan-4-yl)methyl]-3-nitrobenzene-1,2-diol
CID 171246405
6-[(R)-amino(oxan-4-yl)methyl]-3-methyl-2-nitrophenol;hydrochloride
CID 171258604
(5-nitrofuran-2-yl)-phenylmethanamine
CID 43463910
2,3-dihydro-1,4-benzodioxin-6-yl-(5-nitrofuran-2-yl)methanamine
CID 43463989
(1R)-3,3-difluoro-1-(5-nitrofuran-2-yl)propan-1-amine
CID 171313434
2-amino-3-hydroxy-3-(5-nitrofuran-2-yl)propanoic acid
CID 66206757
(1R)-3,3,3-trifluoro-1-(5-nitrofuran-2-yl)propan-1-amine
CID 171198348

Frequently Asked Questions

What is the IUPAC name of (R)-(5-nitrofuran-2-yl)-(oxan-4-yl)methanamine?
The IUPAC name of (R)-(5-nitrofuran-2-yl)-(oxan-4-yl)methanamine (CID 131293376) is (R)-(5-nitrofuran-2-yl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (R)-(5-nitrofuran-2-yl)-(oxan-4-yl)methanamine?
The canonical SMILES for (R)-(5-nitrofuran-2-yl)-(oxan-4-yl)methanamine is N[C@@H](c1ccc([N+](=O)[O-])o1)C1CCOCC1.
What is the InChIKey of (R)-(5-nitrofuran-2-yl)-(oxan-4-yl)methanamine?
The InChIKey is UGYHZDSXURULPE-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14N2O4/c11-10(7-3-5-15-6-4-7)8-1-2-9(16-8)12(13)14/h1-2,7,10H,3-6,11H2/t10-/m1/s1.
What are the key properties of (R)-(5-nitrofuran-2-yl)-(oxan-4-yl)methanamine?
(R)-(5-nitrofuran-2-yl)-(oxan-4-yl)methanamine has a molecular weight of 226.23 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(5-nitrofuran-2-yl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 131293376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).