(Z)-N-(1-pyrrolidin-1-ylethenyl)but-2-en-1-imine

C10H16N2 — CID 163903606

IUPAC(Z)-N-(1-pyrrolidin-1-ylethenyl)but-2-en-1-imine
SMILESC=C(N=C/C=C\C)N1CCCC1
InChIInChI=1S/C10H16N2/c1-3-4-7-11-10(2)12-8-5-6-9-12/h3-4,7H,2,5-6,8-9H2,1H3/b4-3-,11-7?
InChIKeyQLZHQDLYHWQDMZ-PCBHOVRISA-N
MW164.25 g/mol
LogP2.20
Rot. Bonds3

About (Z)-N-(1-pyrrolidin-1-ylethenyl)but-2-en-1-imine

(Z)-N-(1-pyrrolidin-1-ylethenyl)but-2-en-1-imine (PubChem CID 163903606) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (Z)-N-(1-pyrrolidin-1-ylethenyl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(1-pyrrolidin-1-ylethenyl)but-2-en-1-imine
PubChem CID163903606
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(Z)-N-(1-pyrrolidin-1-ylethenyl)but-2-en-1-imine
SMILESC=C(N=C/C=C\C)N1CCCC1
InChIInChI=1S/C10H16N2/c1-3-4-7-11-10(2)12-8-5-6-9-12/h3-4,7H,2,5-6,8-9H2,1H3/b4-3-,11-7?
InChIKeyQLZHQDLYHWQDMZ-PCBHOVRISA-N
XLogP2.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-pyrrolidin-1-ylethenyl)but-2-en-1-imine?
The IUPAC name of (Z)-N-(1-pyrrolidin-1-ylethenyl)but-2-en-1-imine (CID 163903606) is (Z)-N-(1-pyrrolidin-1-ylethenyl)but-2-en-1-imine.
What is the SMILES notation for (Z)-N-(1-pyrrolidin-1-ylethenyl)but-2-en-1-imine?
The canonical SMILES for (Z)-N-(1-pyrrolidin-1-ylethenyl)but-2-en-1-imine is C=C(N=C/C=C\C)N1CCCC1.
What is the InChIKey of (Z)-N-(1-pyrrolidin-1-ylethenyl)but-2-en-1-imine?
The InChIKey is QLZHQDLYHWQDMZ-PCBHOVRISA-N. The full InChI is InChI=1S/C10H16N2/c1-3-4-7-11-10(2)12-8-5-6-9-12/h3-4,7H,2,5-6,8-9H2,1H3/b4-3-,11-7?.
What are the key properties of (Z)-N-(1-pyrrolidin-1-ylethenyl)but-2-en-1-imine?
(Z)-N-(1-pyrrolidin-1-ylethenyl)but-2-en-1-imine has a molecular weight of 164.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-pyrrolidin-1-ylethenyl)but-2-en-1-imine is sourced from PubChem (CID 163903606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).