ethyl 1,3a,6,6a-tetrahydrocyclopenta[b]pyrrole-2-carboxylate

C10H13NO2 — CID 23529487

IUPACethyl 1,3a,6,6a-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
SMILESCCOC(=O)C1=CC2C=CCC2N1
InChIInChI=1S/C10H13NO2/c1-2-13-10(12)9-6-7-4-3-5-8(7)11-9/h3-4,6-8,11H,2,5H2,1H3
InChIKeyCVOSDTOWLYMDHL-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.98
Rot. Bonds2

About ethyl 1,3a,6,6a-tetrahydrocyclopenta[b]pyrrole-2-carboxylate

ethyl 1,3a,6,6a-tetrahydrocyclopenta[b]pyrrole-2-carboxylate (PubChem CID 23529487) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is ethyl 1,3a,6,6a-tetrahydrocyclopenta[b]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1,3a,6,6a-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
PubChem CID23529487
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Nameethyl 1,3a,6,6a-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
SMILESCCOC(=O)C1=CC2C=CCC2N1
InChIInChI=1S/C10H13NO2/c1-2-13-10(12)9-6-7-4-3-5-8(7)11-9/h3-4,6-8,11H,2,5H2,1H3
InChIKeyCVOSDTOWLYMDHL-UHFFFAOYSA-N
XLogP0.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl 1,3a,6,6a-tetrahydrocyclopenta[b]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

Related Compounds

ethane;ethyl 3-methyl-1,3a,4,6a-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
CID 91121949
ethyl (3R,4R)-3,4-dimethyl-1,2,3,4-tetrahydropyridine-6-carboxylate
CID 134971013
ethyl 2,3-dihydro-1H-pyrazole-5-carboxylate
CID 141062238
ethyl bicyclo[2.2.2]oct-2-ene-2-carboxylate
CID 122519867
ethyl 6-ethylsulfinyl-5,6-dihydro-2H-oxazine-3-carboxylate
CID 117058868
ethyl 5-(hydroxymethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate
CID 91508265
diethyl cyclohexa-1,4-diene-1,2-dicarboxylate
CID 13042860
ethyl cyclopenta-1,3-diene-1-carboxylate
CID 175029931
ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate
CID 105422013
2-O-cyclobut-2-en-1-yl 1-O-ethyl oxalate
CID 172730173
ethyl 4-(3,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
CID 10754787
ethyl 2,3,3a,4-tetrahydro-1H-indole-2-carboxylate
CID 154520896

Frequently Asked Questions

What is the IUPAC name of ethyl 1,3a,6,6a-tetrahydrocyclopenta[b]pyrrole-2-carboxylate?
The IUPAC name of ethyl 1,3a,6,6a-tetrahydrocyclopenta[b]pyrrole-2-carboxylate (CID 23529487) is ethyl 1,3a,6,6a-tetrahydrocyclopenta[b]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1,3a,6,6a-tetrahydrocyclopenta[b]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1,3a,6,6a-tetrahydrocyclopenta[b]pyrrole-2-carboxylate is CCOC(=O)C1=CC2C=CCC2N1.
What is the InChIKey of ethyl 1,3a,6,6a-tetrahydrocyclopenta[b]pyrrole-2-carboxylate?
The InChIKey is CVOSDTOWLYMDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-13-10(12)9-6-7-4-3-5-8(7)11-9/h3-4,6-8,11H,2,5H2,1H3.
What are the key properties of ethyl 1,3a,6,6a-tetrahydrocyclopenta[b]pyrrole-2-carboxylate?
ethyl 1,3a,6,6a-tetrahydrocyclopenta[b]pyrrole-2-carboxylate has a molecular weight of 179.22 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3a,6,6a-tetrahydrocyclopenta[b]pyrrole-2-carboxylate is sourced from PubChem (CID 23529487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).