3-ethenylimino-2-piperidin-4-ylidenepent-4-enenitrile

C12H15N3 — CID 143110463

IUPAC3-ethenylimino-2-piperidin-4-ylidenepent-4-enenitrile
SMILESC=C/N=C(\C=C)C(C#N)=C1CCNCC1
InChIInChI=1S/C12H15N3/c1-3-12(15-4-2)11(9-13)10-5-7-14-8-6-10/h3-4,14H,1-2,5-8H2/b15-12+
InChIKeyQNAIZYJNXNEPRD-NTCAYCPXSA-N
MW201.27 g/mol
LogP1.96
Rot. Bonds3

About 3-ethenylimino-2-piperidin-4-ylidenepent-4-enenitrile

3-ethenylimino-2-piperidin-4-ylidenepent-4-enenitrile (PubChem CID 143110463) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-ethenylimino-2-piperidin-4-ylidenepent-4-enenitrile.

Molecular Properties

Compound Name3-ethenylimino-2-piperidin-4-ylidenepent-4-enenitrile
PubChem CID143110463
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-ethenylimino-2-piperidin-4-ylidenepent-4-enenitrile
SMILESC=C/N=C(\C=C)C(C#N)=C1CCNCC1
InChIInChI=1S/C12H15N3/c1-3-12(15-4-2)11(9-13)10-5-7-14-8-6-10/h3-4,14H,1-2,5-8H2/b15-12+
InChIKeyQNAIZYJNXNEPRD-NTCAYCPXSA-N
XLogP1.96
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylimino-2-piperidin-4-ylidenepent-4-enenitrile?
The IUPAC name of 3-ethenylimino-2-piperidin-4-ylidenepent-4-enenitrile (CID 143110463) is 3-ethenylimino-2-piperidin-4-ylidenepent-4-enenitrile.
What is the SMILES notation for 3-ethenylimino-2-piperidin-4-ylidenepent-4-enenitrile?
The canonical SMILES for 3-ethenylimino-2-piperidin-4-ylidenepent-4-enenitrile is C=C/N=C(\C=C)C(C#N)=C1CCNCC1.
What is the InChIKey of 3-ethenylimino-2-piperidin-4-ylidenepent-4-enenitrile?
The InChIKey is QNAIZYJNXNEPRD-NTCAYCPXSA-N. The full InChI is InChI=1S/C12H15N3/c1-3-12(15-4-2)11(9-13)10-5-7-14-8-6-10/h3-4,14H,1-2,5-8H2/b15-12+.
What are the key properties of 3-ethenylimino-2-piperidin-4-ylidenepent-4-enenitrile?
3-ethenylimino-2-piperidin-4-ylidenepent-4-enenitrile has a molecular weight of 201.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylimino-2-piperidin-4-ylidenepent-4-enenitrile is sourced from PubChem (CID 143110463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).