methyl 3-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate

C10H13NO2 — CID 11819614

IUPACmethyl 3-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(c1C)CCC2
InChIInChI=1S/C10H13NO2/c1-6-7-4-3-5-8(7)11-9(6)10(12)13-2/h11H,3-5H2,1-2H3
InChIKeyQKSRZIZMIHKPEK-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.60
Rot. Bonds1

About methyl 3-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate

methyl 3-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate (PubChem CID 11819614) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is methyl 3-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
PubChem CID11819614
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namemethyl 3-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(c1C)CCC2
InChIInChI=1S/C10H13NO2/c1-6-7-4-3-5-8(7)11-9(6)10(12)13-2/h11H,3-5H2,1-2H3
InChIKeyQKSRZIZMIHKPEK-UHFFFAOYSA-N
XLogP1.60
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate?
The IUPAC name of methyl 3-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate (CID 11819614) is methyl 3-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate?
The canonical SMILES for methyl 3-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate is COC(=O)c1[nH]c2c(c1C)CCC2.
What is the InChIKey of methyl 3-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate?
The InChIKey is QKSRZIZMIHKPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-6-7-4-3-5-8(7)11-9(6)10(12)13-2/h11H,3-5H2,1-2H3.
What are the key properties of methyl 3-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate?
methyl 3-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate has a molecular weight of 179.22 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate is sourced from PubChem (CID 11819614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).