(8-formamidocyclooct-2-en-1-yl) hydrogen carbonate

C10H15NO4 — CID 123210551

IUPAC(8-formamidocyclooct-2-en-1-yl) hydrogen carbonate
SMILESO=CNC1CCCCC=CC1OC(=O)O
InChIInChI=1S/C10H15NO4/c12-7-11-8-5-3-1-2-4-6-9(8)15-10(13)14/h4,6-9H,1-3,5H2,(H,11,12)(H,13,14)
InChIKeyYBYIRDUJWQDPQF-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.29
Rot. Bonds3

About (8-formamidocyclooct-2-en-1-yl) hydrogen carbonate

(8-formamidocyclooct-2-en-1-yl) hydrogen carbonate (PubChem CID 123210551) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (8-formamidocyclooct-2-en-1-yl) hydrogen carbonate.

Molecular Properties

Compound Name(8-formamidocyclooct-2-en-1-yl) hydrogen carbonate
PubChem CID123210551
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(8-formamidocyclooct-2-en-1-yl) hydrogen carbonate
SMILESO=CNC1CCCCC=CC1OC(=O)O
InChIInChI=1S/C10H15NO4/c12-7-11-8-5-3-1-2-4-6-9(8)15-10(13)14/h4,6-9H,1-3,5H2,(H,11,12)(H,13,14)
InChIKeyYBYIRDUJWQDPQF-UHFFFAOYSA-N
XLogP1.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2E)-6-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate
CID 90182590
[(2E)-8-acetamidocyclooct-2-en-1-yl] hydrogen carbonate
CID 90184329
[(2E)-8-acetamidocyclooct-2-en-1-yl] methyl carbonate
CID 90184392
[(2E)-8-(2,2-dimethylpropanoylamino)cyclooct-2-en-1-yl] methyl carbonate
CID 118460721
(8-Acetamidocyclooct-2-en-1-yl) hydrogen carbonate
CID 123296457
[6-(Methylamino)cyclooct-2-en-1-yl] hydrogen carbonate
CID 123346165
acetaldehyde;ethane;[(2E)-8-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate
CID 144632112
(8E)-3a,4,5,6,7,9a-hexahydro-3H-cycloocta[d][1,3]oxazol-2-one
CID 153422589
[Hydroxy-[8-(propanoylamino)cyclooct-2-en-1-yl]oxymethyl]oxidanium
CID 163453476
3a,4,5,6,7,9a-hexahydro-3H-cycloocta[d][1,3]oxazol-2-one
CID 163621819
methyl [(2E)-8-(phosphanylcarbonylamino)cyclooct-2-en-1-yl] carbonate
CID 166982111
[(2E,6R)-6-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate
CID 166982119

Frequently Asked Questions

What is the IUPAC name of (8-formamidocyclooct-2-en-1-yl) hydrogen carbonate?
The IUPAC name of (8-formamidocyclooct-2-en-1-yl) hydrogen carbonate (CID 123210551) is (8-formamidocyclooct-2-en-1-yl) hydrogen carbonate.
What is the SMILES notation for (8-formamidocyclooct-2-en-1-yl) hydrogen carbonate?
The canonical SMILES for (8-formamidocyclooct-2-en-1-yl) hydrogen carbonate is O=CNC1CCCCC=CC1OC(=O)O.
What is the InChIKey of (8-formamidocyclooct-2-en-1-yl) hydrogen carbonate?
The InChIKey is YBYIRDUJWQDPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c12-7-11-8-5-3-1-2-4-6-9(8)15-10(13)14/h4,6-9H,1-3,5H2,(H,11,12)(H,13,14).
What are the key properties of (8-formamidocyclooct-2-en-1-yl) hydrogen carbonate?
(8-formamidocyclooct-2-en-1-yl) hydrogen carbonate has a molecular weight of 213.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-formamidocyclooct-2-en-1-yl) hydrogen carbonate is sourced from PubChem (CID 123210551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).