[6-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate

C10H17NO3 — CID 123346165

IUPAC[6-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate
SMILESCNC1CCC=CC(OC(=O)O)CC1
InChIInChI=1S/C10H17NO3/c1-11-8-4-2-3-5-9(7-6-8)14-10(12)13/h3,5,8-9,11H,2,4,6-7H2,1H3,(H,12,13)
InChIKeyQSDVHYJKRDNUJD-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.77
Rot. Bonds2

About [6-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate

[6-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate (PubChem CID 123346165) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is [6-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate.

Molecular Properties

Compound Name[6-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate
PubChem CID123346165
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name[6-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate
SMILESCNC1CCC=CC(OC(=O)O)CC1
InChIInChI=1S/C10H17NO3/c1-11-8-4-2-3-5-9(7-6-8)14-10(12)13/h3,5,8-9,11H,2,4,6-7H2,1H3,(H,12,13)
InChIKeyQSDVHYJKRDNUJD-UHFFFAOYSA-N
XLogP1.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2E)-6-aminocyclooct-2-en-1-yl] N-ethylcarbamate
CID 90182586
[(2E)-6-(methylamino)cyclooct-2-en-1-yl] carbamate
CID 90182589
[(2E)-6-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate
CID 90182590
[(2E)-6-aminocyclooct-2-en-1-yl] methyl carbonate
CID 90182599
[(2E,5S)-5-aminocyclooct-2-en-1-yl] methyl carbonate
CID 90182861
[(2E)-5-aminocyclooct-2-en-1-yl] methyl carbonate
CID 90182937
[(2E)-6-aminocyclooct-2-en-1-yl] N,N-dimethylcarbamate
CID 90182974
[(2E)-6-(methylamino)cyclooct-2-en-1-yl]oxymethanethioic S-acid
CID 90183042
[(2E)-6-aminocyclooct-2-en-1-yl] hydrogen carbonate
CID 90184199
methyl [(2E)-5-(methylamino)cyclooct-2-en-1-yl] carbonate
CID 90184254
[(2E)-8-acetamidocyclooct-2-en-1-yl] hydrogen carbonate
CID 90184329
[(2E)-6-aminocyclooct-2-en-1-yl] tert-butyl carbonate
CID 118458930

Frequently Asked Questions

What is the IUPAC name of [6-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate?
The IUPAC name of [6-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate (CID 123346165) is [6-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate.
What is the SMILES notation for [6-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate?
The canonical SMILES for [6-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate is CNC1CCC=CC(OC(=O)O)CC1.
What is the InChIKey of [6-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate?
The InChIKey is QSDVHYJKRDNUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-11-8-4-2-3-5-9(7-6-8)14-10(12)13/h3,5,8-9,11H,2,4,6-7H2,1H3,(H,12,13).
What are the key properties of [6-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate?
[6-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate has a molecular weight of 199.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methylamino)cyclooct-2-en-1-yl] hydrogen carbonate is sourced from PubChem (CID 123346165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).