(5Z)-N-[(E)-but-1-enyl]-5-(1-pyrrolidin-1-ylethylidene)-1H-imidazol-4-imine

C13H20N4 — CID 143922995

IUPAC(5Z)-N-[(E)-but-1-enyl]-5-(1-pyrrolidin-1-ylethylidene)-1H-imidazol-4-imine
SMILESCC/C=C/N=C1\N=CN\C1=C(\C)N1CCCC1
InChIInChI=1S/C13H20N4/c1-3-4-7-14-13-12(15-10-16-13)11(2)17-8-5-6-9-17/h4,7,10H,3,5-6,8-9H2,1-2H3,(H,14,15,16)/b7-4+,12-11-
InChIKeyKGBLQFFYOSNIBN-RPWBPTDLSA-N
MW232.33 g/mol
LogP2.27
Rot. Bonds3

About (5Z)-N-[(E)-but-1-enyl]-5-(1-pyrrolidin-1-ylethylidene)-1H-imidazol-4-imine

(5Z)-N-[(E)-but-1-enyl]-5-(1-pyrrolidin-1-ylethylidene)-1H-imidazol-4-imine (PubChem CID 143922995) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is (5Z)-N-[(E)-but-1-enyl]-5-(1-pyrrolidin-1-ylethylidene)-1H-imidazol-4-imine.

Molecular Properties

Compound Name(5Z)-N-[(E)-but-1-enyl]-5-(1-pyrrolidin-1-ylethylidene)-1H-imidazol-4-imine
PubChem CID143922995
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name(5Z)-N-[(E)-but-1-enyl]-5-(1-pyrrolidin-1-ylethylidene)-1H-imidazol-4-imine
SMILESCC/C=C/N=C1\N=CN\C1=C(\C)N1CCCC1
InChIInChI=1S/C13H20N4/c1-3-4-7-14-13-12(15-10-16-13)11(2)17-8-5-6-9-17/h4,7,10H,3,5-6,8-9H2,1-2H3,(H,14,15,16)/b7-4+,12-11-
InChIKeyKGBLQFFYOSNIBN-RPWBPTDLSA-N
XLogP2.27
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (5Z)-N-[(E)-but-1-enyl]-5-(1-pyrrolidin-1-ylethylidene)-1H-imidazol-4-imine?
The IUPAC name of (5Z)-N-[(E)-but-1-enyl]-5-(1-pyrrolidin-1-ylethylidene)-1H-imidazol-4-imine (CID 143922995) is (5Z)-N-[(E)-but-1-enyl]-5-(1-pyrrolidin-1-ylethylidene)-1H-imidazol-4-imine.
What is the SMILES notation for (5Z)-N-[(E)-but-1-enyl]-5-(1-pyrrolidin-1-ylethylidene)-1H-imidazol-4-imine?
The canonical SMILES for (5Z)-N-[(E)-but-1-enyl]-5-(1-pyrrolidin-1-ylethylidene)-1H-imidazol-4-imine is CC/C=C/N=C1\N=CN\C1=C(\C)N1CCCC1.
What is the InChIKey of (5Z)-N-[(E)-but-1-enyl]-5-(1-pyrrolidin-1-ylethylidene)-1H-imidazol-4-imine?
The InChIKey is KGBLQFFYOSNIBN-RPWBPTDLSA-N. The full InChI is InChI=1S/C13H20N4/c1-3-4-7-14-13-12(15-10-16-13)11(2)17-8-5-6-9-17/h4,7,10H,3,5-6,8-9H2,1-2H3,(H,14,15,16)/b7-4+,12-11-.
What are the key properties of (5Z)-N-[(E)-but-1-enyl]-5-(1-pyrrolidin-1-ylethylidene)-1H-imidazol-4-imine?
(5Z)-N-[(E)-but-1-enyl]-5-(1-pyrrolidin-1-ylethylidene)-1H-imidazol-4-imine has a molecular weight of 232.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-[(E)-but-1-enyl]-5-(1-pyrrolidin-1-ylethylidene)-1H-imidazol-4-imine is sourced from PubChem (CID 143922995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).