2-ethyl-2-propan-2-ylpyrrole

C9H15N — CID 91079741

IUPAC2-ethyl-2-propan-2-ylpyrrole
SMILESCCC1(C(C)C)C=CC=N1
InChIInChI=1S/C9H15N/c1-4-9(8(2)3)6-5-7-10-9/h5-8H,4H2,1-3H3
InChIKeyGXSKGGJQZAPRQC-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds2

About 2-ethyl-2-propan-2-ylpyrrole

2-ethyl-2-propan-2-ylpyrrole (PubChem CID 91079741) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-ethyl-2-propan-2-ylpyrrole.

Molecular Properties

Compound Name2-ethyl-2-propan-2-ylpyrrole
PubChem CID91079741
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-ethyl-2-propan-2-ylpyrrole
SMILESCCC1(C(C)C)C=CC=N1
InChIInChI=1S/C9H15N/c1-4-9(8(2)3)6-5-7-10-9/h5-8H,4H2,1-3H3
InChIKeyGXSKGGJQZAPRQC-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-2-propan-2-ylpyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Isopropyl-2-ethyl-4-methylpyrrole
CID 129786814
(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
CID 134895402
2-Non-6-en-4-yl-2-propylpyrrole
CID 56981173
2-But-2-enyl-2-ethylpyrrole
CID 57004955
N,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine
CID 57035322
3-(2-Methylpyrrol-2-yl)butan-2-imine
CID 57035429
2-(2,8-Dimethylnonan-5-yl)-2-ethylpyrrole
CID 57120345
2-Hexan-3-yl-2-pentylpyrrole
CID 57206465
2-Methyl-2-propylpyrrole
CID 57216634
2-But-2-ynyl-2-ethylpyrrole
CID 57292671
(Z)-3-cyclopentyl-N-methylprop-2-en-1-imine
CID 59910597
2,2,3-trimethyl-3H-pyridine
CID 68267369

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-propan-2-ylpyrrole?
The IUPAC name of 2-ethyl-2-propan-2-ylpyrrole (CID 91079741) is 2-ethyl-2-propan-2-ylpyrrole.
What is the SMILES notation for 2-ethyl-2-propan-2-ylpyrrole?
The canonical SMILES for 2-ethyl-2-propan-2-ylpyrrole is CCC1(C(C)C)C=CC=N1.
What is the InChIKey of 2-ethyl-2-propan-2-ylpyrrole?
The InChIKey is GXSKGGJQZAPRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-4-9(8(2)3)6-5-7-10-9/h5-8H,4H2,1-3H3.
What are the key properties of 2-ethyl-2-propan-2-ylpyrrole?
2-ethyl-2-propan-2-ylpyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-propan-2-ylpyrrole is sourced from PubChem (CID 91079741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).