2-[(3,4-diethylpyrrolidin-1-yl)methyl]-1H-pyrrole

C13H22N2 — CID 138507717

IUPAC2-[(3,4-diethylpyrrolidin-1-yl)methyl]-1H-pyrrole
SMILESCCC1CN(Cc2ccc[nH]2)CC1CC
InChIInChI=1S/C13H22N2/c1-3-11-8-15(9-12(11)4-2)10-13-6-5-7-14-13/h5-7,11-12,14H,3-4,8-10H2,1-2H3
InChIKeyKKBGYWVVRGRGMU-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.88
Rot. Bonds4

About 2-[(3,4-diethylpyrrolidin-1-yl)methyl]-1H-pyrrole

2-[(3,4-diethylpyrrolidin-1-yl)methyl]-1H-pyrrole (PubChem CID 138507717) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-[(3,4-diethylpyrrolidin-1-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(3,4-diethylpyrrolidin-1-yl)methyl]-1H-pyrrole
PubChem CID138507717
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-[(3,4-diethylpyrrolidin-1-yl)methyl]-1H-pyrrole
SMILESCCC1CN(Cc2ccc[nH]2)CC1CC
InChIInChI=1S/C13H22N2/c1-3-11-8-15(9-12(11)4-2)10-13-6-5-7-14-13/h5-7,11-12,14H,3-4,8-10H2,1-2H3
InChIKeyKKBGYWVVRGRGMU-UHFFFAOYSA-N
XLogP2.88
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-diethylpyrrolidin-1-yl)methyl]-1H-pyrrole?
The IUPAC name of 2-[(3,4-diethylpyrrolidin-1-yl)methyl]-1H-pyrrole (CID 138507717) is 2-[(3,4-diethylpyrrolidin-1-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[(3,4-diethylpyrrolidin-1-yl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[(3,4-diethylpyrrolidin-1-yl)methyl]-1H-pyrrole is CCC1CN(Cc2ccc[nH]2)CC1CC.
What is the InChIKey of 2-[(3,4-diethylpyrrolidin-1-yl)methyl]-1H-pyrrole?
The InChIKey is KKBGYWVVRGRGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-11-8-15(9-12(11)4-2)10-13-6-5-7-14-13/h5-7,11-12,14H,3-4,8-10H2,1-2H3.
What are the key properties of 2-[(3,4-diethylpyrrolidin-1-yl)methyl]-1H-pyrrole?
2-[(3,4-diethylpyrrolidin-1-yl)methyl]-1H-pyrrole has a molecular weight of 206.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-diethylpyrrolidin-1-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 138507717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).