ethyl 1-carbamoyl-2,4-dimethylpyrrole-3-carboxylate

C10H14N2O3 — CID 102414688

IUPACethyl 1-carbamoyl-2,4-dimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)cn(C(N)=O)c1C
InChIInChI=1S/C10H14N2O3/c1-4-15-9(13)8-6(2)5-12(7(8)3)10(11)14/h5H,4H2,1-3H3,(H2,11,14)
InChIKeySQXXCGVELSUEOW-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.21
Rot. Bonds2

About ethyl 1-carbamoyl-2,4-dimethylpyrrole-3-carboxylate

ethyl 1-carbamoyl-2,4-dimethylpyrrole-3-carboxylate (PubChem CID 102414688) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 1-carbamoyl-2,4-dimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-carbamoyl-2,4-dimethylpyrrole-3-carboxylate
PubChem CID102414688
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 1-carbamoyl-2,4-dimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)cn(C(N)=O)c1C
InChIInChI=1S/C10H14N2O3/c1-4-15-9(13)8-6(2)5-12(7(8)3)10(11)14/h5H,4H2,1-3H3,(H2,11,14)
InChIKeySQXXCGVELSUEOW-UHFFFAOYSA-N
XLogP1.21
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4-trimethylpyrrole-1-carboxamide
CID 67112270
ethyl 4-amino-1,2-dimethylpyrrole-3-carboxylate
CID 69086572
ethyl 2,6-dimethylbenzoate
CID 520807
ethyl 2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate
CID 154663343
2-(3-ethoxycarbonyl-1-ethyl-4-methylpyrrol-2-yl)acetic acid
CID 22334966
ethyl 2,3,6-trimethylbenzoate
CID 13126297
ethyl 2,6-dichloro-3-methylbenzoate
CID 130783153
ethyl 4-acetyloxy-1,2-dimethylpyrrole-3-carboxylate
CID 121006178
diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate
CID 578820
ethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate
CID 70386750
ethyl 1-(2,3-dimethylbutyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate
CID 64599477
ethyl 2-amino-4-methyl-1-[(4-methylphenyl)sulfonylamino]pyrrole-3-carboxylate
CID 25045668

Frequently Asked Questions

What is the IUPAC name of ethyl 1-carbamoyl-2,4-dimethylpyrrole-3-carboxylate?
The IUPAC name of ethyl 1-carbamoyl-2,4-dimethylpyrrole-3-carboxylate (CID 102414688) is ethyl 1-carbamoyl-2,4-dimethylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-carbamoyl-2,4-dimethylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-carbamoyl-2,4-dimethylpyrrole-3-carboxylate is CCOC(=O)c1c(C)cn(C(N)=O)c1C.
What is the InChIKey of ethyl 1-carbamoyl-2,4-dimethylpyrrole-3-carboxylate?
The InChIKey is SQXXCGVELSUEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-4-15-9(13)8-6(2)5-12(7(8)3)10(11)14/h5H,4H2,1-3H3,(H2,11,14).
What are the key properties of ethyl 1-carbamoyl-2,4-dimethylpyrrole-3-carboxylate?
ethyl 1-carbamoyl-2,4-dimethylpyrrole-3-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-carbamoyl-2,4-dimethylpyrrole-3-carboxylate is sourced from PubChem (CID 102414688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).