3-cyclopropyl-5-methoxycarbonyl-1H-pyrrole-2-carboxylate

C10H10NO4- — CID 170993886

IUPAC3-cyclopropyl-5-methoxycarbonyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(C2CC2)c(C(=O)[O-])[nH]1
InChIInChI=1S/C10H11NO4/c1-15-10(14)7-4-6(5-2-3-5)8(11-7)9(12)13/h4-5,11H,2-3H2,1H3,(H,12,13)/p-1
InChIKeySJQQUIRAWPSSTJ-UHFFFAOYSA-M
MW208.19 g/mol
LogP0.04
Rot. Bonds3

About 3-cyclopropyl-5-methoxycarbonyl-1H-pyrrole-2-carboxylate

3-cyclopropyl-5-methoxycarbonyl-1H-pyrrole-2-carboxylate (PubChem CID 170993886) has the molecular formula C10H10NO4- and a molecular weight of 208.19 g/mol. Its IUPAC name is 3-cyclopropyl-5-methoxycarbonyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name3-cyclopropyl-5-methoxycarbonyl-1H-pyrrole-2-carboxylate
PubChem CID170993886
Molecular FormulaC10H10NO4-
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name3-cyclopropyl-5-methoxycarbonyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(C2CC2)c(C(=O)[O-])[nH]1
InChIInChI=1S/C10H11NO4/c1-15-10(14)7-4-6(5-2-3-5)8(11-7)9(12)13/h4-5,11H,2-3H2,1H3,(H,12,13)/p-1
InChIKeySJQQUIRAWPSSTJ-UHFFFAOYSA-M
XLogP0.04
TPSA82.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-5-methoxycarbonyl-1H-pyrrole-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-methoxycarbonyl-1H-pyrrole-2-carboxylate?
The IUPAC name of 3-cyclopropyl-5-methoxycarbonyl-1H-pyrrole-2-carboxylate (CID 170993886) is 3-cyclopropyl-5-methoxycarbonyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for 3-cyclopropyl-5-methoxycarbonyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for 3-cyclopropyl-5-methoxycarbonyl-1H-pyrrole-2-carboxylate is COC(=O)c1cc(C2CC2)c(C(=O)[O-])[nH]1.
What is the InChIKey of 3-cyclopropyl-5-methoxycarbonyl-1H-pyrrole-2-carboxylate?
The InChIKey is SJQQUIRAWPSSTJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11NO4/c1-15-10(14)7-4-6(5-2-3-5)8(11-7)9(12)13/h4-5,11H,2-3H2,1H3,(H,12,13)/p-1.
What are the key properties of 3-cyclopropyl-5-methoxycarbonyl-1H-pyrrole-2-carboxylate?
3-cyclopropyl-5-methoxycarbonyl-1H-pyrrole-2-carboxylate has a molecular weight of 208.19 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-methoxycarbonyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 170993886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).