2-(dimethylamino)ethyl 4-methyl-1H-pyrrole-3-carboxylate

C10H16N2O2 — CID 20795956

IUPAC2-(dimethylamino)ethyl 4-methyl-1H-pyrrole-3-carboxylate
SMILESCc1c[nH]cc1C(=O)OCCN(C)C
InChIInChI=1S/C10H16N2O2/c1-8-6-11-7-9(8)10(13)14-5-4-12(2)3/h6-7,11H,4-5H2,1-3H3
InChIKeyWDHULFPFZJUNSU-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.04
Rot. Bonds4

About 2-(dimethylamino)ethyl 4-methyl-1H-pyrrole-3-carboxylate

2-(dimethylamino)ethyl 4-methyl-1H-pyrrole-3-carboxylate (PubChem CID 20795956) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-methyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 4-methyl-1H-pyrrole-3-carboxylate
PubChem CID20795956
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(dimethylamino)ethyl 4-methyl-1H-pyrrole-3-carboxylate
SMILESCc1c[nH]cc1C(=O)OCCN(C)C
InChIInChI=1S/C10H16N2O2/c1-8-6-11-7-9(8)10(13)14-5-4-12(2)3/h6-7,11H,4-5H2,1-3H3
InChIKeyWDHULFPFZJUNSU-UHFFFAOYSA-N
XLogP1.04
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-methyl-1H-pyrrole-3-carboxylate;methyl 4-methyl-1H-pyrrole-3-carboxylate
CID 70398310
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2-(dimethylamino)ethyl 2-(2-hydroxyacetyl)benzoate
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ethyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 824655
2-(dimethylamino)ethyl 5-amino-2-fluorobenzoate
CID 61314304
2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate
CID 91693936
2-(dimethylamino)ethyl benzoate;hydroiodide
CID 2752377
2-(dimethylamino)ethyl 2-hydroxy-3-propanoylbenzoate
CID 13478528
2-(dimethylamino)ethyl 7-chloro-8-methyl-9H-carbazole-1-carboxylate
CID 154123424
2-(dimethylamino)ethyl 2,3-bis(bromomethyl)benzoate
CID 54290065
2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate
CID 26543
2-(dimethylamino)ethyl 5-amino-2-bromo-4-fluorobenzoate
CID 62814937

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 4-methyl-1H-pyrrole-3-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 4-methyl-1H-pyrrole-3-carboxylate (CID 20795956) is 2-(dimethylamino)ethyl 4-methyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 4-methyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 4-methyl-1H-pyrrole-3-carboxylate is Cc1c[nH]cc1C(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 4-methyl-1H-pyrrole-3-carboxylate?
The InChIKey is WDHULFPFZJUNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8-6-11-7-9(8)10(13)14-5-4-12(2)3/h6-7,11H,4-5H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 4-methyl-1H-pyrrole-3-carboxylate?
2-(dimethylamino)ethyl 4-methyl-1H-pyrrole-3-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 4-methyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 20795956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).