3,3-diethyl-2-methylpyrrole

C9H15N — CID 90014657

IUPAC3,3-diethyl-2-methylpyrrole
SMILESCCC1(CC)C=CN=C1C
InChIInChI=1S/C9H15N/c1-4-9(5-2)6-7-10-8(9)3/h6-7H,4-5H2,1-3H3
InChIKeyKGNOTRKXIRMUEX-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.78
Rot. Bonds2

About 3,3-diethyl-2-methylpyrrole

3,3-diethyl-2-methylpyrrole (PubChem CID 90014657) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3,3-diethyl-2-methylpyrrole.

Molecular Properties

Compound Name3,3-diethyl-2-methylpyrrole
PubChem CID90014657
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3,3-diethyl-2-methylpyrrole
SMILESCCC1(CC)C=CN=C1C
InChIInChI=1S/C9H15N/c1-4-9(5-2)6-7-10-8(9)3/h6-7H,4-5H2,1-3H3
InChIKeyKGNOTRKXIRMUEX-UHFFFAOYSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-2-methylpyrrole?
The IUPAC name of 3,3-diethyl-2-methylpyrrole (CID 90014657) is 3,3-diethyl-2-methylpyrrole.
What is the SMILES notation for 3,3-diethyl-2-methylpyrrole?
The canonical SMILES for 3,3-diethyl-2-methylpyrrole is CCC1(CC)C=CN=C1C.
What is the InChIKey of 3,3-diethyl-2-methylpyrrole?
The InChIKey is KGNOTRKXIRMUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-4-9(5-2)6-7-10-8(9)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 3,3-diethyl-2-methylpyrrole?
3,3-diethyl-2-methylpyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-2-methylpyrrole is sourced from PubChem (CID 90014657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).