[(1R,4S)-4-azidocyclopent-2-en-1-yl]methanol

C6H9N3O — CID 122379831

IUPAC[(1R,4S)-4-azidocyclopent-2-en-1-yl]methanol
SMILES[N-]=[N+]=N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C6H9N3O/c7-9-8-6-2-1-5(3-6)4-10/h1-2,5-6,10H,3-4H2/t5-,6+/m0/s1
InChIKeyFRTZPSBHMHTGMX-NTSWFWBYSA-N
MW139.16 g/mol
LogP1.23
Rot. Bonds2

About [(1R,4S)-4-azidocyclopent-2-en-1-yl]methanol

[(1R,4S)-4-azidocyclopent-2-en-1-yl]methanol (PubChem CID 122379831) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is [(1R,4S)-4-azidocyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-azidocyclopent-2-en-1-yl]methanol
PubChem CID122379831
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name[(1R,4S)-4-azidocyclopent-2-en-1-yl]methanol
SMILES[N-]=[N+]=N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C6H9N3O/c7-9-8-6-2-1-5(3-6)4-10/h1-2,5-6,10H,3-4H2/t5-,6+/m0/s1
InChIKeyFRTZPSBHMHTGMX-NTSWFWBYSA-N
XLogP1.23
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-azidocyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-azidocyclopent-2-en-1-yl]methanol (CID 122379831) is [(1R,4S)-4-azidocyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-azidocyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-azidocyclopent-2-en-1-yl]methanol is [N-]=[N+]=N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of [(1R,4S)-4-azidocyclopent-2-en-1-yl]methanol?
The InChIKey is FRTZPSBHMHTGMX-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H9N3O/c7-9-8-6-2-1-5(3-6)4-10/h1-2,5-6,10H,3-4H2/t5-,6+/m0/s1.
What are the key properties of [(1R,4S)-4-azidocyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-azidocyclopent-2-en-1-yl]methanol has a molecular weight of 139.16 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-azidocyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 122379831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).