ethyl 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxylate

C15H24N2O2 — CID 105421684

IUPACethyl 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)ccn1CCCN1CCCC1
InChIInChI=1S/C15H24N2O2/c1-3-19-15(18)14-13(2)7-12-17(14)11-6-10-16-8-4-5-9-16/h7,12H,3-6,8-11H2,1-2H3
InChIKeyWHNVCNJFBVQMSD-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.46
Rot. Bonds6

About ethyl 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxylate

ethyl 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxylate (PubChem CID 105421684) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethyl 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxylate
PubChem CID105421684
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nameethyl 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)ccn1CCCN1CCCC1
InChIInChI=1S/C15H24N2O2/c1-3-19-15(18)14-13(2)7-12-17(14)11-6-10-16-8-4-5-9-16/h7,12H,3-6,8-11H2,1-2H3
InChIKeyWHNVCNJFBVQMSD-UHFFFAOYSA-N
XLogP2.46
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-methyl-1-pent-4-ynylpyrrole-2-carboxylate
CID 105421735
ethyl 1-(3-ethylsulfonylpropyl)-3-methylpyrrole-2-carboxylate
CID 105421866
4-methyl-2-oxo-1-(4-pyrrolidin-1-ylbutyl)pyridine-3-carboxylic acid
CID 170506720
ethyl 1-(2-imidazol-1-ylethyl)-3-methylpyrrole-2-carboxylate
CID 105421743
ethyl 2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-thiophen-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 13389017
ethyl 1-(2-chloroprop-2-enyl)-3-methylpyrrole-2-carboxylate
CID 105421842
ethyl 1-(2,3-dihydroxypropyl)-3-methylpyrrole-2-carboxylate
CID 105421719
diethyl 2,6-dimethyl-4-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 155516568
ethyl 1-formyl-3-methylpyrrole-2-carboxylate
CID 141045706
1-(5-hydroxypentyl)-3-methylpyrrole-2-carboxylic acid
CID 102604662
ethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate
CID 56760030
ethyl 4-amino-2-(3-pyrrolidin-1-ylpropoxy)benzoate
CID 106955343

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxylate?
The IUPAC name of ethyl 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxylate (CID 105421684) is ethyl 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxylate is CCOC(=O)c1c(C)ccn1CCCN1CCCC1.
What is the InChIKey of ethyl 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxylate?
The InChIKey is WHNVCNJFBVQMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-19-15(18)14-13(2)7-12-17(14)11-6-10-16-8-4-5-9-16/h7,12H,3-6,8-11H2,1-2H3.
What are the key properties of ethyl 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxylate?
ethyl 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxylate has a molecular weight of 264.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxylate is sourced from PubChem (CID 105421684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).