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

Analyze ethyl 6-carbamoyl-5-methylcyclohexene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (5R)-5-(2-hydroxyethyl)cyclopentene-1-carboxylate
CID 139653519
ethyl (6S)-6-chlorocyclohexene-1-carboxylate
CID 124705412
diethyl 4-methylcyclohepta-2,7-diene-1,2-dicarboxylate
CID 66809203
ethyl bicyclo[2.2.2]oct-2-ene-2-carboxylate
CID 122519867
ethyl 6-cyclopropyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 135083855
diethyl cyclohepta-2,7-diene-1,2-dicarboxylate
CID 66809712
triethyl (4aS,7Z,10aS)-4a,5,6,9,10,10a-hexahydro-2H-cycloocta[c]pyridine-1,1,4-tricarboxylate
CID 15192447
ethyl (1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
CID 139024699
ethyl (1S,8S)-bicyclo[6.2.0]dec-9-ene-9-carboxylate
CID 102411878
ethyl 4-[7-(4-ethoxycarbonylphenyl)-7-bicyclo[2.2.1]heptanyl]benzoate
CID 57413259
ethyl spiro[bicyclo[4.1.0]hept-1(7)-ene-3,1'-cyclopropane]-7-carboxylate
CID 148617843
cis-ethyl (1S,2R)-2-methyl-5-oxocyclopentane-1-carboxylate
CID 15253094

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).