[(2S,5S)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine

C8H11N3O — CID 10820929

IUPAC[(2S,5S)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine
SMILESNC[C@@H]1C=C[C@@H](c2cnc[nH]2)O1
InChIInChI=1S/C8H11N3O/c9-3-6-1-2-8(12-6)7-4-10-5-11-7/h1-2,4-6,8H,3,9H2,(H,10,11)/t6-,8-/m0/s1
InChIKeyDCDBUDNURLZBED-XPUUQOCRSA-N
MW165.20 g/mol
LogP0.36
Rot. Bonds2

About [(2S,5S)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine

[(2S,5S)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine (PubChem CID 10820929) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is [(2S,5S)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,5S)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine
PubChem CID10820929
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name[(2S,5S)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine
SMILESNC[C@@H]1C=C[C@@H](c2cnc[nH]2)O1
InChIInChI=1S/C8H11N3O/c9-3-6-1-2-8(12-6)7-4-10-5-11-7/h1-2,4-6,8H,3,9H2,(H,10,11)/t6-,8-/m0/s1
InChIKeyDCDBUDNURLZBED-XPUUQOCRSA-N
XLogP0.36
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine?
The IUPAC name of [(2S,5S)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine (CID 10820929) is [(2S,5S)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine.
What is the SMILES notation for [(2S,5S)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine?
The canonical SMILES for [(2S,5S)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine is NC[C@@H]1C=C[C@@H](c2cnc[nH]2)O1.
What is the InChIKey of [(2S,5S)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine?
The InChIKey is DCDBUDNURLZBED-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H11N3O/c9-3-6-1-2-8(12-6)7-4-10-5-11-7/h1-2,4-6,8H,3,9H2,(H,10,11)/t6-,8-/m0/s1.
What are the key properties of [(2S,5S)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine?
[(2S,5S)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine has a molecular weight of 165.20 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine is sourced from PubChem (CID 10820929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).