1-[(Z)-2-(3-methylbut-1-en-2-yliminomethyl)but-2-enyl]pyrrolidin-2-one

C14H22N2O — CID 145198112

IUPAC1-[(Z)-2-(3-methylbut-1-en-2-yliminomethyl)but-2-enyl]pyrrolidin-2-one
SMILESC=C(/N=C/C(=C\C)CN1CCCC1=O)C(C)C
InChIInChI=1S/C14H22N2O/c1-5-13(9-15-12(4)11(2)3)10-16-8-6-7-14(16)17/h5,9,11H,4,6-8,10H2,1-3H3/b13-5+,15-9+
InChIKeyDVHRTZCTZRWMCK-GJSXYQNNSA-N
MW234.34 g/mol
LogP2.80
Rot. Bonds5

About 1-[(Z)-2-(3-methylbut-1-en-2-yliminomethyl)but-2-enyl]pyrrolidin-2-one

1-[(Z)-2-(3-methylbut-1-en-2-yliminomethyl)but-2-enyl]pyrrolidin-2-one (PubChem CID 145198112) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[(Z)-2-(3-methylbut-1-en-2-yliminomethyl)but-2-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(Z)-2-(3-methylbut-1-en-2-yliminomethyl)but-2-enyl]pyrrolidin-2-one
PubChem CID145198112
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[(Z)-2-(3-methylbut-1-en-2-yliminomethyl)but-2-enyl]pyrrolidin-2-one
SMILESC=C(/N=C/C(=C\C)CN1CCCC1=O)C(C)C
InChIInChI=1S/C14H22N2O/c1-5-13(9-15-12(4)11(2)3)10-16-8-6-7-14(16)17/h5,9,11H,4,6-8,10H2,1-3H3/b13-5+,15-9+
InChIKeyDVHRTZCTZRWMCK-GJSXYQNNSA-N
XLogP2.80
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.80
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 1-[(Z)-2-(3-methylbut-1-en-2-yliminomethyl)but-2-enyl]pyrrolidin-2-one?
The IUPAC name of 1-[(Z)-2-(3-methylbut-1-en-2-yliminomethyl)but-2-enyl]pyrrolidin-2-one (CID 145198112) is 1-[(Z)-2-(3-methylbut-1-en-2-yliminomethyl)but-2-enyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(Z)-2-(3-methylbut-1-en-2-yliminomethyl)but-2-enyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(Z)-2-(3-methylbut-1-en-2-yliminomethyl)but-2-enyl]pyrrolidin-2-one is C=C(/N=C/C(=C\C)CN1CCCC1=O)C(C)C.
What is the InChIKey of 1-[(Z)-2-(3-methylbut-1-en-2-yliminomethyl)but-2-enyl]pyrrolidin-2-one?
The InChIKey is DVHRTZCTZRWMCK-GJSXYQNNSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-13(9-15-12(4)11(2)3)10-16-8-6-7-14(16)17/h5,9,11H,4,6-8,10H2,1-3H3/b13-5+,15-9+.
What are the key properties of 1-[(Z)-2-(3-methylbut-1-en-2-yliminomethyl)but-2-enyl]pyrrolidin-2-one?
1-[(Z)-2-(3-methylbut-1-en-2-yliminomethyl)but-2-enyl]pyrrolidin-2-one has a molecular weight of 234.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(3-methylbut-1-en-2-yliminomethyl)but-2-enyl]pyrrolidin-2-one is sourced from PubChem (CID 145198112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).