4,5-diethyl-2-methyl-2,3-dihydro-1H-pyrrole

C9H17N — CID 59163899

IUPAC4,5-diethyl-2-methyl-2,3-dihydro-1H-pyrrole
SMILESCCC1=C(CC)NC(C)C1
InChIInChI=1S/C9H17N/c1-4-8-6-7(3)10-9(8)5-2/h7,10H,4-6H2,1-3H3
InChIKeySJIXUNHDEIIAEP-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.44
Rot. Bonds2

About 4,5-diethyl-2-methyl-2,3-dihydro-1H-pyrrole

4,5-diethyl-2-methyl-2,3-dihydro-1H-pyrrole (PubChem CID 59163899) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 4,5-diethyl-2-methyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name4,5-diethyl-2-methyl-2,3-dihydro-1H-pyrrole
PubChem CID59163899
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name4,5-diethyl-2-methyl-2,3-dihydro-1H-pyrrole
SMILESCCC1=C(CC)NC(C)C1
InChIInChI=1S/C9H17N/c1-4-8-6-7(3)10-9(8)5-2/h7,10H,4-6H2,1-3H3
InChIKeySJIXUNHDEIIAEP-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-2-methyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 4,5-diethyl-2-methyl-2,3-dihydro-1H-pyrrole (CID 59163899) is 4,5-diethyl-2-methyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 4,5-diethyl-2-methyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 4,5-diethyl-2-methyl-2,3-dihydro-1H-pyrrole is CCC1=C(CC)NC(C)C1.
What is the InChIKey of 4,5-diethyl-2-methyl-2,3-dihydro-1H-pyrrole?
The InChIKey is SJIXUNHDEIIAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-8-6-7(3)10-9(8)5-2/h7,10H,4-6H2,1-3H3.
What are the key properties of 4,5-diethyl-2-methyl-2,3-dihydro-1H-pyrrole?
4,5-diethyl-2-methyl-2,3-dihydro-1H-pyrrole has a molecular weight of 139.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-2-methyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 59163899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).