4-[(E)-but-2-en-2-yl]-3-ethyl-5-methylpyrazolidine

C10H20N2 — CID 134391064

IUPAC4-[(E)-but-2-en-2-yl]-3-ethyl-5-methylpyrazolidine
SMILESC/C=C(\C)C1C(C)NNC1CC
InChIInChI=1S/C10H20N2/c1-5-7(3)10-8(4)11-12-9(10)6-2/h5,8-12H,6H2,1-4H3/b7-5+
InChIKeyWIISENNSDPEZRF-FNORWQNLSA-N
MW168.28 g/mol
LogP1.84
Rot. Bonds2

About 4-[(E)-but-2-en-2-yl]-3-ethyl-5-methylpyrazolidine

4-[(E)-but-2-en-2-yl]-3-ethyl-5-methylpyrazolidine (PubChem CID 134391064) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-[(E)-but-2-en-2-yl]-3-ethyl-5-methylpyrazolidine.

Molecular Properties

Compound Name4-[(E)-but-2-en-2-yl]-3-ethyl-5-methylpyrazolidine
PubChem CID134391064
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name4-[(E)-but-2-en-2-yl]-3-ethyl-5-methylpyrazolidine
SMILESC/C=C(\C)C1C(C)NNC1CC
InChIInChI=1S/C10H20N2/c1-5-7(3)10-8(4)11-12-9(10)6-2/h5,8-12H,6H2,1-4H3/b7-5+
InChIKeyWIISENNSDPEZRF-FNORWQNLSA-N
XLogP1.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-en-2-yl]-3-ethyl-5-methylpyrazolidine?
The IUPAC name of 4-[(E)-but-2-en-2-yl]-3-ethyl-5-methylpyrazolidine (CID 134391064) is 4-[(E)-but-2-en-2-yl]-3-ethyl-5-methylpyrazolidine.
What is the SMILES notation for 4-[(E)-but-2-en-2-yl]-3-ethyl-5-methylpyrazolidine?
The canonical SMILES for 4-[(E)-but-2-en-2-yl]-3-ethyl-5-methylpyrazolidine is C/C=C(\C)C1C(C)NNC1CC.
What is the InChIKey of 4-[(E)-but-2-en-2-yl]-3-ethyl-5-methylpyrazolidine?
The InChIKey is WIISENNSDPEZRF-FNORWQNLSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-7(3)10-8(4)11-12-9(10)6-2/h5,8-12H,6H2,1-4H3/b7-5+.
What are the key properties of 4-[(E)-but-2-en-2-yl]-3-ethyl-5-methylpyrazolidine?
4-[(E)-but-2-en-2-yl]-3-ethyl-5-methylpyrazolidine has a molecular weight of 168.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-en-2-yl]-3-ethyl-5-methylpyrazolidine is sourced from PubChem (CID 134391064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).