2-isocyanoethoxy-methyl-(tetrazol-2-yl)phosphane

C5H8N5OP — CID 58868671

IUPAC2-isocyanoethoxy-methyl-(tetrazol-2-yl)phosphane
SMILES[C-]#[N+]CCOP(C)n1ncnn1
InChIInChI=1S/C5H8N5OP/c1-6-3-4-11-12(2)10-8-5-7-9-10/h5H,3-4H2,2H3
InChIKeyUIBIDNMEEOGLJE-UHFFFAOYSA-N
MW185.13 g/mol
LogP0.40
Rot. Bonds4

About 2-isocyanoethoxy-methyl-(tetrazol-2-yl)phosphane

2-isocyanoethoxy-methyl-(tetrazol-2-yl)phosphane (PubChem CID 58868671) has the molecular formula C5H8N5OP and a molecular weight of 185.13 g/mol. Its IUPAC name is 2-isocyanoethoxy-methyl-(tetrazol-2-yl)phosphane.

Molecular Properties

Compound Name2-isocyanoethoxy-methyl-(tetrazol-2-yl)phosphane
PubChem CID58868671
Molecular FormulaC5H8N5OP
Molecular Weight185.13 g/mol
Exact Mass185.05
IUPAC Name2-isocyanoethoxy-methyl-(tetrazol-2-yl)phosphane
SMILES[C-]#[N+]CCOP(C)n1ncnn1
InChIInChI=1S/C5H8N5OP/c1-6-3-4-11-12(2)10-8-5-7-9-10/h5H,3-4H2,2H3
InChIKeyUIBIDNMEEOGLJE-UHFFFAOYSA-N
XLogP0.40
TPSA57.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-isocyanoethoxy-methyl-(tetrazol-2-yl)phosphane?
The IUPAC name of 2-isocyanoethoxy-methyl-(tetrazol-2-yl)phosphane (CID 58868671) is 2-isocyanoethoxy-methyl-(tetrazol-2-yl)phosphane.
What is the SMILES notation for 2-isocyanoethoxy-methyl-(tetrazol-2-yl)phosphane?
The canonical SMILES for 2-isocyanoethoxy-methyl-(tetrazol-2-yl)phosphane is [C-]#[N+]CCOP(C)n1ncnn1.
What is the InChIKey of 2-isocyanoethoxy-methyl-(tetrazol-2-yl)phosphane?
The InChIKey is UIBIDNMEEOGLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N5OP/c1-6-3-4-11-12(2)10-8-5-7-9-10/h5H,3-4H2,2H3.
What are the key properties of 2-isocyanoethoxy-methyl-(tetrazol-2-yl)phosphane?
2-isocyanoethoxy-methyl-(tetrazol-2-yl)phosphane has a molecular weight of 185.13 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyanoethoxy-methyl-(tetrazol-2-yl)phosphane is sourced from PubChem (CID 58868671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).