ethyl 6-carbamoylcyclohex-2-ene-1-carboxylate

C10H15NO3 — CID 54124837

IUPACethyl 6-carbamoylcyclohex-2-ene-1-carboxylate
SMILESCCOC(=O)C1C=CCCC1C(N)=O
InChIInChI=1S/C10H15NO3/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h4,6-8H,2-3,5H2,1H3,(H2,11,12)
InChIKeyNQFDTQVIUQFFCW-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.62
Rot. Bonds3

About ethyl 6-carbamoylcyclohex-2-ene-1-carboxylate

ethyl 6-carbamoylcyclohex-2-ene-1-carboxylate (PubChem CID 54124837) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 6-carbamoylcyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-carbamoylcyclohex-2-ene-1-carboxylate
PubChem CID54124837
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 6-carbamoylcyclohex-2-ene-1-carboxylate
SMILESCCOC(=O)C1C=CCCC1C(N)=O
InChIInChI=1S/C10H15NO3/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h4,6-8H,2-3,5H2,1H3,(H2,11,12)
InChIKeyNQFDTQVIUQFFCW-UHFFFAOYSA-N
XLogP0.62
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 ethyl 6-carbamoylcyclohex-2-ene-1-carboxylate?
The IUPAC name of ethyl 6-carbamoylcyclohex-2-ene-1-carboxylate (CID 54124837) is ethyl 6-carbamoylcyclohex-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 6-carbamoylcyclohex-2-ene-1-carboxylate?
The canonical SMILES for ethyl 6-carbamoylcyclohex-2-ene-1-carboxylate is CCOC(=O)C1C=CCCC1C(N)=O.
What is the InChIKey of ethyl 6-carbamoylcyclohex-2-ene-1-carboxylate?
The InChIKey is NQFDTQVIUQFFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h4,6-8H,2-3,5H2,1H3,(H2,11,12).
What are the key properties of ethyl 6-carbamoylcyclohex-2-ene-1-carboxylate?
ethyl 6-carbamoylcyclohex-2-ene-1-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-carbamoylcyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 54124837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).