1-[(E)-but-2-en-2-yl]pyrrolidine

C8H15N — CID 12571419

IUPAC1-[(E)-but-2-en-2-yl]pyrrolidine
SMILESC/C=C(\C)N1CCCC1
InChIInChI=1S/C8H15N/c1-3-8(2)9-6-4-5-7-9/h3H,4-7H2,1-2H3/b8-3+
InChIKeyCIKKMJYNIZDBQR-FPYGCLRLSA-N
MW125.21 g/mol
LogP2.01
Rot. Bonds1

About 1-[(E)-but-2-en-2-yl]pyrrolidine

1-[(E)-but-2-en-2-yl]pyrrolidine (PubChem CID 12571419) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]pyrrolidine
PubChem CID12571419
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name1-[(E)-but-2-en-2-yl]pyrrolidine
SMILESC/C=C(\C)N1CCCC1
InChIInChI=1S/C8H15N/c1-3-8(2)9-6-4-5-7-9/h3H,4-7H2,1-2H3/b8-3+
InChIKeyCIKKMJYNIZDBQR-FPYGCLRLSA-N
XLogP2.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]pyrrolidine?
The IUPAC name of 1-[(E)-but-2-en-2-yl]pyrrolidine (CID 12571419) is 1-[(E)-but-2-en-2-yl]pyrrolidine.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]pyrrolidine?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]pyrrolidine is C/C=C(\C)N1CCCC1.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]pyrrolidine?
The InChIKey is CIKKMJYNIZDBQR-FPYGCLRLSA-N. The full InChI is InChI=1S/C8H15N/c1-3-8(2)9-6-4-5-7-9/h3H,4-7H2,1-2H3/b8-3+.
What are the key properties of 1-[(E)-but-2-en-2-yl]pyrrolidine?
1-[(E)-but-2-en-2-yl]pyrrolidine has a molecular weight of 125.21 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]pyrrolidine is sourced from PubChem (CID 12571419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).