1-[(E)-2-(cyclobutadienyl)ethenyl]pyrrolidine

C10H13N — CID 143453586

IUPAC1-[(E)-2-(cyclobutadienyl)ethenyl]pyrrolidine
SMILESC1=CC(/C=C/N2CCCC2)=C1
InChIInChI=1S/C10H13N/c1-2-8-11(7-1)9-6-10-4-3-5-10/h3-6,9H,1-2,7-8H2/b9-6+
InChIKeyGXBPZHYWRMNRGJ-RMKNXTFCSA-N
MW147.22 g/mol
LogP2.09
Rot. Bonds2

About 1-[(E)-2-(cyclobutadienyl)ethenyl]pyrrolidine

1-[(E)-2-(cyclobutadienyl)ethenyl]pyrrolidine (PubChem CID 143453586) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-[(E)-2-(cyclobutadienyl)ethenyl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-2-(cyclobutadienyl)ethenyl]pyrrolidine
PubChem CID143453586
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name1-[(E)-2-(cyclobutadienyl)ethenyl]pyrrolidine
SMILESC1=CC(/C=C/N2CCCC2)=C1
InChIInChI=1S/C10H13N/c1-2-8-11(7-1)9-6-10-4-3-5-10/h3-6,9H,1-2,7-8H2/b9-6+
InChIKeyGXBPZHYWRMNRGJ-RMKNXTFCSA-N
XLogP2.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-[(E)-but-1-en-3-ynyl]pyrrolidine
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1-[(E)-2-(2,6-dinitrophenyl)ethenyl]pyrrolidine
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1-[(E)-2-(6,6-dimethylcyclohexen-1-yl)ethenyl]pyrrolidine
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1-[(E)-prop-1-enyl]piperidine
CID 5463479
pyrrolidin-1-yl-[5-[(E)-2-pyrrolidin-1-ylethenyl]-1,2-oxazol-3-yl]methanone
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1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole
CID 2825325
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CID 89445469

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(cyclobutadienyl)ethenyl]pyrrolidine?
The IUPAC name of 1-[(E)-2-(cyclobutadienyl)ethenyl]pyrrolidine (CID 143453586) is 1-[(E)-2-(cyclobutadienyl)ethenyl]pyrrolidine.
What is the SMILES notation for 1-[(E)-2-(cyclobutadienyl)ethenyl]pyrrolidine?
The canonical SMILES for 1-[(E)-2-(cyclobutadienyl)ethenyl]pyrrolidine is C1=CC(/C=C/N2CCCC2)=C1.
What is the InChIKey of 1-[(E)-2-(cyclobutadienyl)ethenyl]pyrrolidine?
The InChIKey is GXBPZHYWRMNRGJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H13N/c1-2-8-11(7-1)9-6-10-4-3-5-10/h3-6,9H,1-2,7-8H2/b9-6+.
What are the key properties of 1-[(E)-2-(cyclobutadienyl)ethenyl]pyrrolidine?
1-[(E)-2-(cyclobutadienyl)ethenyl]pyrrolidine has a molecular weight of 147.22 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(cyclobutadienyl)ethenyl]pyrrolidine is sourced from PubChem (CID 143453586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).