3-but-1-en-2-yl-1-cyclobutylpyrrole

C12H17N — CID 157047763

IUPAC3-but-1-en-2-yl-1-cyclobutylpyrrole
SMILESC=C(CC)c1ccn(C2CCC2)c1
InChIInChI=1S/C12H17N/c1-3-10(2)11-7-8-13(9-11)12-5-4-6-12/h7-9,12H,2-6H2,1H3
InChIKeyWLJUZJBNTGFTGI-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.64
Rot. Bonds3

About 3-but-1-en-2-yl-1-cyclobutylpyrrole

3-but-1-en-2-yl-1-cyclobutylpyrrole (PubChem CID 157047763) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-but-1-en-2-yl-1-cyclobutylpyrrole.

Molecular Properties

Compound Name3-but-1-en-2-yl-1-cyclobutylpyrrole
PubChem CID157047763
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name3-but-1-en-2-yl-1-cyclobutylpyrrole
SMILESC=C(CC)c1ccn(C2CCC2)c1
InChIInChI=1S/C12H17N/c1-3-10(2)11-7-8-13(9-11)12-5-4-6-12/h7-9,12H,2-6H2,1H3
InChIKeyWLJUZJBNTGFTGI-UHFFFAOYSA-N
XLogP3.64
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-but-1-en-2-yl-1-cyclobutylpyrrole?
The IUPAC name of 3-but-1-en-2-yl-1-cyclobutylpyrrole (CID 157047763) is 3-but-1-en-2-yl-1-cyclobutylpyrrole.
What is the SMILES notation for 3-but-1-en-2-yl-1-cyclobutylpyrrole?
The canonical SMILES for 3-but-1-en-2-yl-1-cyclobutylpyrrole is C=C(CC)c1ccn(C2CCC2)c1.
What is the InChIKey of 3-but-1-en-2-yl-1-cyclobutylpyrrole?
The InChIKey is WLJUZJBNTGFTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-3-10(2)11-7-8-13(9-11)12-5-4-6-12/h7-9,12H,2-6H2,1H3.
What are the key properties of 3-but-1-en-2-yl-1-cyclobutylpyrrole?
3-but-1-en-2-yl-1-cyclobutylpyrrole has a molecular weight of 175.27 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-1-en-2-yl-1-cyclobutylpyrrole is sourced from PubChem (CID 157047763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).