3,4-diethyl-2,5-dimethyl-1H-pyrrole

C10H17N — CID 15711941

IUPAC3,4-diethyl-2,5-dimethyl-1H-pyrrole
SMILESCCc1c(C)[nH]c(C)c1CC
InChIInChI=1S/C10H17N/c1-5-9-7(3)11-8(4)10(9)6-2/h11H,5-6H2,1-4H3
InChIKeyHBEAJORQBYUSHK-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.76
Rot. Bonds2

About 3,4-diethyl-2,5-dimethyl-1H-pyrrole

3,4-diethyl-2,5-dimethyl-1H-pyrrole (PubChem CID 15711941) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3,4-diethyl-2,5-dimethyl-1H-pyrrole.

Molecular Properties

Compound Name3,4-diethyl-2,5-dimethyl-1H-pyrrole
PubChem CID15711941
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3,4-diethyl-2,5-dimethyl-1H-pyrrole
SMILESCCc1c(C)[nH]c(C)c1CC
InChIInChI=1S/C10H17N/c1-5-9-7(3)11-8(4)10(9)6-2/h11H,5-6H2,1-4H3
InChIKeyHBEAJORQBYUSHK-UHFFFAOYSA-N
XLogP2.76
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-2,5-dimethyl-1H-pyrrole?
The IUPAC name of 3,4-diethyl-2,5-dimethyl-1H-pyrrole (CID 15711941) is 3,4-diethyl-2,5-dimethyl-1H-pyrrole.
What is the SMILES notation for 3,4-diethyl-2,5-dimethyl-1H-pyrrole?
The canonical SMILES for 3,4-diethyl-2,5-dimethyl-1H-pyrrole is CCc1c(C)[nH]c(C)c1CC.
What is the InChIKey of 3,4-diethyl-2,5-dimethyl-1H-pyrrole?
The InChIKey is HBEAJORQBYUSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-5-9-7(3)11-8(4)10(9)6-2/h11H,5-6H2,1-4H3.
What are the key properties of 3,4-diethyl-2,5-dimethyl-1H-pyrrole?
3,4-diethyl-2,5-dimethyl-1H-pyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-2,5-dimethyl-1H-pyrrole is sourced from PubChem (CID 15711941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).