ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyrazolidine

C10H18N2 — CID 142271601

IUPACethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyrazolidine
SMILESC=C/C=C1/NNC/C1=C/C.CC
InChIInChI=1S/C8H12N2.C2H6/c1-3-5-8-7(4-2)6-9-10-8;1-2/h3-5,9-10H,1,6H2,2H3;1-2H3/b7-4-,8-5+;
InChIKeyXLSTXGGHTRANDA-QMKOBIDDSA-N
MW166.27 g/mol
LogP2.14
Rot. Bonds1

About ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyrazolidine

ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyrazolidine (PubChem CID 142271601) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyrazolidine.

Molecular Properties

Compound Nameethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyrazolidine
PubChem CID142271601
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyrazolidine
SMILESC=C/C=C1/NNC/C1=C/C.CC
InChIInChI=1S/C8H12N2.C2H6/c1-3-5-8-7(4-2)6-9-10-8;1-2/h3-5,9-10H,1,6H2,2H3;1-2H3/b7-4-,8-5+;
InChIKeyXLSTXGGHTRANDA-QMKOBIDDSA-N
XLogP2.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyrazolidine?
The IUPAC name of ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyrazolidine (CID 142271601) is ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyrazolidine.
What is the SMILES notation for ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyrazolidine?
The canonical SMILES for ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyrazolidine is C=C/C=C1/NNC/C1=C/C.CC.
What is the InChIKey of ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyrazolidine?
The InChIKey is XLSTXGGHTRANDA-QMKOBIDDSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c1-3-5-8-7(4-2)6-9-10-8;1-2/h3-5,9-10H,1,6H2,2H3;1-2H3/b7-4-,8-5+;.
What are the key properties of ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyrazolidine?
ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyrazolidine has a molecular weight of 166.27 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyrazolidine is sourced from PubChem (CID 142271601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).