ethyl 6-carbamoyl-5-methylcyclohexene-1-carboxylate

C11H17NO3 — CID 57225543

IUPACethyl 6-carbamoyl-5-methylcyclohexene-1-carboxylate
SMILESCCOC(=O)C1=CCCC(C)C1C(N)=O
InChIInChI=1S/C11H17NO3/c1-3-15-11(14)8-6-4-5-7(2)9(8)10(12)13/h6-7,9H,3-5H2,1-2H3,(H2,12,13)
InChIKeyQSSNCLXMEOEGCC-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.01
Rot. Bonds3

About ethyl 6-carbamoyl-5-methylcyclohexene-1-carboxylate

ethyl 6-carbamoyl-5-methylcyclohexene-1-carboxylate (PubChem CID 57225543) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 6-carbamoyl-5-methylcyclohexene-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-carbamoyl-5-methylcyclohexene-1-carboxylate
PubChem CID57225543
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl 6-carbamoyl-5-methylcyclohexene-1-carboxylate
SMILESCCOC(=O)C1=CCCC(C)C1C(N)=O
InChIInChI=1S/C11H17NO3/c1-3-15-11(14)8-6-4-5-7(2)9(8)10(12)13/h6-7,9H,3-5H2,1-2H3,(H2,12,13)
InChIKeyQSSNCLXMEOEGCC-UHFFFAOYSA-N
XLogP1.01
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-carbamoyl-5-methylcyclohexene-1-carboxylate?
The IUPAC name of ethyl 6-carbamoyl-5-methylcyclohexene-1-carboxylate (CID 57225543) is ethyl 6-carbamoyl-5-methylcyclohexene-1-carboxylate.
What is the SMILES notation for ethyl 6-carbamoyl-5-methylcyclohexene-1-carboxylate?
The canonical SMILES for ethyl 6-carbamoyl-5-methylcyclohexene-1-carboxylate is CCOC(=O)C1=CCCC(C)C1C(N)=O.
What is the InChIKey of ethyl 6-carbamoyl-5-methylcyclohexene-1-carboxylate?
The InChIKey is QSSNCLXMEOEGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-15-11(14)8-6-4-5-7(2)9(8)10(12)13/h6-7,9H,3-5H2,1-2H3,(H2,12,13).
What are the key properties of ethyl 6-carbamoyl-5-methylcyclohexene-1-carboxylate?
ethyl 6-carbamoyl-5-methylcyclohexene-1-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-carbamoyl-5-methylcyclohexene-1-carboxylate is sourced from PubChem (CID 57225543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).