1-[(E)-pent-2-en-3-yl]pyrrolidine

C9H17N — CID 5462837

IUPAC1-[(E)-pent-2-en-3-yl]pyrrolidine
SMILESC/C=C(\CC)N1CCCC1
InChIInChI=1S/C9H17N/c1-3-9(4-2)10-7-5-6-8-10/h3H,4-8H2,1-2H3/b9-3+
InChIKeyLSQXOLFOAOCMSS-YCRREMRBSA-N
MW139.24 g/mol
LogP2.40
Rot. Bonds2

About 1-[(E)-pent-2-en-3-yl]pyrrolidine

1-[(E)-pent-2-en-3-yl]pyrrolidine (PubChem CID 5462837) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-[(E)-pent-2-en-3-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-pent-2-en-3-yl]pyrrolidine
PubChem CID5462837
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-[(E)-pent-2-en-3-yl]pyrrolidine
SMILESC/C=C(\CC)N1CCCC1
InChIInChI=1S/C9H17N/c1-3-9(4-2)10-7-5-6-8-10/h3H,4-8H2,1-2H3/b9-3+
InChIKeyLSQXOLFOAOCMSS-YCRREMRBSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-pent-2-en-3-yl]pyrrolidine?
The IUPAC name of 1-[(E)-pent-2-en-3-yl]pyrrolidine (CID 5462837) is 1-[(E)-pent-2-en-3-yl]pyrrolidine.
What is the SMILES notation for 1-[(E)-pent-2-en-3-yl]pyrrolidine?
The canonical SMILES for 1-[(E)-pent-2-en-3-yl]pyrrolidine is C/C=C(\CC)N1CCCC1.
What is the InChIKey of 1-[(E)-pent-2-en-3-yl]pyrrolidine?
The InChIKey is LSQXOLFOAOCMSS-YCRREMRBSA-N. The full InChI is InChI=1S/C9H17N/c1-3-9(4-2)10-7-5-6-8-10/h3H,4-8H2,1-2H3/b9-3+.
What are the key properties of 1-[(E)-pent-2-en-3-yl]pyrrolidine?
1-[(E)-pent-2-en-3-yl]pyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-pent-2-en-3-yl]pyrrolidine is sourced from PubChem (CID 5462837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).