1-butyl-2-ethylpyrrole;formonitrile

C11H18N2 — CID 175875001

IUPAC1-butyl-2-ethylpyrrole;formonitrile
SMILESC#N.CCCCn1cccc1CC
InChIInChI=1S/C10H17N.CHN/c1-3-5-8-11-9-6-7-10(11)4-2;1-2/h6-7,9H,3-5,8H2,1-2H3;1H
InChIKeyJIFJHWMRZBMGDA-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.99
Rot. Bonds4

About 1-butyl-2-ethylpyrrole;formonitrile

1-butyl-2-ethylpyrrole;formonitrile (PubChem CID 175875001) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-butyl-2-ethylpyrrole;formonitrile.

Molecular Properties

Compound Name1-butyl-2-ethylpyrrole;formonitrile
PubChem CID175875001
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-butyl-2-ethylpyrrole;formonitrile
SMILESC#N.CCCCn1cccc1CC
InChIInChI=1S/C10H17N.CHN/c1-3-5-8-11-9-6-7-10(11)4-2;1-2/h6-7,9H,3-5,8H2,1-2H3;1H
InChIKeyJIFJHWMRZBMGDA-UHFFFAOYSA-N
XLogP2.99
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-butyl-2-ethylpyrrole;formonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-ethylpyrrole;formonitrile?
The IUPAC name of 1-butyl-2-ethylpyrrole;formonitrile (CID 175875001) is 1-butyl-2-ethylpyrrole;formonitrile.
What is the SMILES notation for 1-butyl-2-ethylpyrrole;formonitrile?
The canonical SMILES for 1-butyl-2-ethylpyrrole;formonitrile is C#N.CCCCn1cccc1CC.
What is the InChIKey of 1-butyl-2-ethylpyrrole;formonitrile?
The InChIKey is JIFJHWMRZBMGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.CHN/c1-3-5-8-11-9-6-7-10(11)4-2;1-2/h6-7,9H,3-5,8H2,1-2H3;1H.
What are the key properties of 1-butyl-2-ethylpyrrole;formonitrile?
1-butyl-2-ethylpyrrole;formonitrile has a molecular weight of 178.28 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-ethylpyrrole;formonitrile is sourced from PubChem (CID 175875001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).