ethyl 1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate

C9H11N3O2 — CID 18405219

IUPACethyl 1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(ncn2C)[nH]1
InChIInChI=1S/C9H11N3O2/c1-3-14-9(13)6-4-7-8(11-6)10-5-12(7)2/h4-5,11H,3H2,1-2H3
InChIKeyLFXLJOPHDNXJGF-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.08
Rot. Bonds2

About ethyl 1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate

ethyl 1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate (PubChem CID 18405219) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is ethyl 1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
PubChem CID18405219
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Nameethyl 1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(ncn2C)[nH]1
InChIInChI=1S/C9H11N3O2/c1-3-14-9(13)6-4-7-8(11-6)10-5-12(7)2/h4-5,11H,3H2,1-2H3
InChIKeyLFXLJOPHDNXJGF-UHFFFAOYSA-N
XLogP1.08
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 7-methyl-5H-pyrrolo[2,3-b]pyrazine-6-carboxylate
CID 44307094
Methyl 3H-imidazo[4,5-b]pyridine-5-carboxylate
CID 53989929
methyl 4-(benzimidazol-1-yl)-1H-pyrrole-2-carboxylate
CID 50974335
Ethyl 2-fluoro-5H-pyrrolo[2,3-b]pyrazine-6-carboxylate
CID 68476193
methyl 1-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrrole-2-carboxylate
CID 176309018
Ethyl 4-[[4-(3-aminopropanoylamino)-1-(2,2,2-trifluoroethyl)imidazole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 176386090
Methyl 4-[[4-[[4-(4-aminobutanoylamino)-1-methyl-imidazole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxylate
CID 15959163
ethyl 2-butyl-3-[(4-ethoxycarbonylphenyl)methyl]-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
CID 15855495
ethyl 3-[(4-ethoxycarbonylphenyl)methyl]-2-propyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
CID 15855501
Ethyl 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-6-carboxylate
CID 131699523
ethyl 2-ethylsulfonyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
CID 10589188
ethyl 2-ethylsulfanyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
CID 10634640

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate?
The IUPAC name of ethyl 1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate (CID 18405219) is ethyl 1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate?
The canonical SMILES for ethyl 1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate is CCOC(=O)c1cc2c(ncn2C)[nH]1.
What is the InChIKey of ethyl 1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate?
The InChIKey is LFXLJOPHDNXJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-3-14-9(13)6-4-7-8(11-6)10-5-12(7)2/h4-5,11H,3H2,1-2H3.
What are the key properties of ethyl 1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate?
ethyl 1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate has a molecular weight of 193.21 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate is sourced from PubChem (CID 18405219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).