(2R)-2-ethyl-5-methyl-3,4-dihydro-2H-pyrrole

C7H13N — CID 166775922

IUPAC(2R)-2-ethyl-5-methyl-3,4-dihydro-2H-pyrrole
SMILESCC[C@@H]1CCC(C)=N1
InChIInChI=1S/C7H13N/c1-3-7-5-4-6(2)8-7/h7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyMWGNNWXEWNEJTA-SSDOTTSWSA-N
MW111.19 g/mol
LogP2.02
Rot. Bonds1

About (2R)-2-ethyl-5-methyl-3,4-dihydro-2H-pyrrole

(2R)-2-ethyl-5-methyl-3,4-dihydro-2H-pyrrole (PubChem CID 166775922) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (2R)-2-ethyl-5-methyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name(2R)-2-ethyl-5-methyl-3,4-dihydro-2H-pyrrole
PubChem CID166775922
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(2R)-2-ethyl-5-methyl-3,4-dihydro-2H-pyrrole
SMILESCC[C@@H]1CCC(C)=N1
InChIInChI=1S/C7H13N/c1-3-7-5-4-6(2)8-7/h7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyMWGNNWXEWNEJTA-SSDOTTSWSA-N
XLogP2.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-5-methyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of (2R)-2-ethyl-5-methyl-3,4-dihydro-2H-pyrrole (CID 166775922) is (2R)-2-ethyl-5-methyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for (2R)-2-ethyl-5-methyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for (2R)-2-ethyl-5-methyl-3,4-dihydro-2H-pyrrole is CC[C@@H]1CCC(C)=N1.
What is the InChIKey of (2R)-2-ethyl-5-methyl-3,4-dihydro-2H-pyrrole?
The InChIKey is MWGNNWXEWNEJTA-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13N/c1-3-7-5-4-6(2)8-7/h7H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-2-ethyl-5-methyl-3,4-dihydro-2H-pyrrole?
(2R)-2-ethyl-5-methyl-3,4-dihydro-2H-pyrrole has a molecular weight of 111.19 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-5-methyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 166775922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).