(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine

C11H18N2 — CID 145149516

IUPAC(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine
SMILESC=C/N=C(\C=C/C)N1CCCCC1
InChIInChI=1S/C11H18N2/c1-3-8-11(12-4-2)13-9-6-5-7-10-13/h3-4,8H,2,5-7,9-10H2,1H3/b8-3-,12-11+
InChIKeyNGXCIBZHRXCHQQ-KZMQQMSPSA-N
MW178.28 g/mol
LogP2.59
Rot. Bonds2

About (Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine

(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine (PubChem CID 145149516) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine
PubChem CID145149516
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine
SMILESC=C/N=C(\C=C/C)N1CCCCC1
InChIInChI=1S/C11H18N2/c1-3-8-11(12-4-2)13-9-6-5-7-10-13/h3-4,8H,2,5-7,9-10H2,1H3/b8-3-,12-11+
InChIKeyNGXCIBZHRXCHQQ-KZMQQMSPSA-N
XLogP2.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine?
The IUPAC name of (Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine (CID 145149516) is (Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine.
What is the SMILES notation for (Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine?
The canonical SMILES for (Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine is C=C/N=C(\C=C/C)N1CCCCC1.
What is the InChIKey of (Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine?
The InChIKey is NGXCIBZHRXCHQQ-KZMQQMSPSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-8-11(12-4-2)13-9-6-5-7-10-13/h3-4,8H,2,5-7,9-10H2,1H3/b8-3-,12-11+.
What are the key properties of (Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine?
(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine has a molecular weight of 178.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine is sourced from PubChem (CID 145149516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).