[2-(ethoxycarbonylamino)cyclohex-3-en-1-yl] methyl carbonate

C11H17NO5 — CID 67826153

IUPAC[2-(ethoxycarbonylamino)cyclohex-3-en-1-yl] methyl carbonate
SMILESCCOC(=O)NC1C=CCCC1OC(=O)OC
InChIInChI=1S/C11H17NO5/c1-3-16-10(13)12-8-6-4-5-7-9(8)17-11(14)15-2/h4,6,8-9H,3,5,7H2,1-2H3,(H,12,13)
InChIKeyFVHBOVRNABRBQR-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.60
Rot. Bonds3

About [2-(ethoxycarbonylamino)cyclohex-3-en-1-yl] methyl carbonate

[2-(ethoxycarbonylamino)cyclohex-3-en-1-yl] methyl carbonate (PubChem CID 67826153) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)cyclohex-3-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)cyclohex-3-en-1-yl] methyl carbonate
PubChem CID67826153
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name[2-(ethoxycarbonylamino)cyclohex-3-en-1-yl] methyl carbonate
SMILESCCOC(=O)NC1C=CCCC1OC(=O)OC
InChIInChI=1S/C11H17NO5/c1-3-16-10(13)12-8-6-4-5-7-9(8)17-11(14)15-2/h4,6,8-9H,3,5,7H2,1-2H3,(H,12,13)
InChIKeyFVHBOVRNABRBQR-UHFFFAOYSA-N
XLogP1.60
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 [2-(ethoxycarbonylamino)cyclohex-3-en-1-yl] methyl carbonate?
The IUPAC name of [2-(ethoxycarbonylamino)cyclohex-3-en-1-yl] methyl carbonate (CID 67826153) is [2-(ethoxycarbonylamino)cyclohex-3-en-1-yl] methyl carbonate.
What is the SMILES notation for [2-(ethoxycarbonylamino)cyclohex-3-en-1-yl] methyl carbonate?
The canonical SMILES for [2-(ethoxycarbonylamino)cyclohex-3-en-1-yl] methyl carbonate is CCOC(=O)NC1C=CCCC1OC(=O)OC.
What is the InChIKey of [2-(ethoxycarbonylamino)cyclohex-3-en-1-yl] methyl carbonate?
The InChIKey is FVHBOVRNABRBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-3-16-10(13)12-8-6-4-5-7-9(8)17-11(14)15-2/h4,6,8-9H,3,5,7H2,1-2H3,(H,12,13).
What are the key properties of [2-(ethoxycarbonylamino)cyclohex-3-en-1-yl] methyl carbonate?
[2-(ethoxycarbonylamino)cyclohex-3-en-1-yl] methyl carbonate has a molecular weight of 243.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)cyclohex-3-en-1-yl] methyl carbonate is sourced from PubChem (CID 67826153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).