3-[(Z)-but-1-enyl]-1-methyl-4-(methyliminomethyl)-2H-pyrrol-5-one

C11H16N2O — CID 143839051

IUPAC3-[(Z)-but-1-enyl]-1-methyl-4-(methyliminomethyl)-2H-pyrrol-5-one
SMILESCC/C=C\C1=C(/C=N/C)C(=O)N(C)C1
InChIInChI=1S/C11H16N2O/c1-4-5-6-9-8-13(3)11(14)10(9)7-12-2/h5-7H,4,8H2,1-3H3/b6-5-,12-7+
InChIKeyUIVHQEGYVIKIPO-UNKATYBDSA-N
MW192.26 g/mol
LogP1.42
Rot. Bonds3

About 3-[(Z)-but-1-enyl]-1-methyl-4-(methyliminomethyl)-2H-pyrrol-5-one

3-[(Z)-but-1-enyl]-1-methyl-4-(methyliminomethyl)-2H-pyrrol-5-one (PubChem CID 143839051) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-[(Z)-but-1-enyl]-1-methyl-4-(methyliminomethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-[(Z)-but-1-enyl]-1-methyl-4-(methyliminomethyl)-2H-pyrrol-5-one
PubChem CID143839051
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-[(Z)-but-1-enyl]-1-methyl-4-(methyliminomethyl)-2H-pyrrol-5-one
SMILESCC/C=C\C1=C(/C=N/C)C(=O)N(C)C1
InChIInChI=1S/C11H16N2O/c1-4-5-6-9-8-13(3)11(14)10(9)7-12-2/h5-7H,4,8H2,1-3H3/b6-5-,12-7+
InChIKeyUIVHQEGYVIKIPO-UNKATYBDSA-N
XLogP1.42
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.42
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 3-[(Z)-but-1-enyl]-1-methyl-4-(methyliminomethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-[(Z)-but-1-enyl]-1-methyl-4-(methyliminomethyl)-2H-pyrrol-5-one (CID 143839051) is 3-[(Z)-but-1-enyl]-1-methyl-4-(methyliminomethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-[(Z)-but-1-enyl]-1-methyl-4-(methyliminomethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-[(Z)-but-1-enyl]-1-methyl-4-(methyliminomethyl)-2H-pyrrol-5-one is CC/C=C\C1=C(/C=N/C)C(=O)N(C)C1.
What is the InChIKey of 3-[(Z)-but-1-enyl]-1-methyl-4-(methyliminomethyl)-2H-pyrrol-5-one?
The InChIKey is UIVHQEGYVIKIPO-UNKATYBDSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-5-6-9-8-13(3)11(14)10(9)7-12-2/h5-7H,4,8H2,1-3H3/b6-5-,12-7+.
What are the key properties of 3-[(Z)-but-1-enyl]-1-methyl-4-(methyliminomethyl)-2H-pyrrol-5-one?
3-[(Z)-but-1-enyl]-1-methyl-4-(methyliminomethyl)-2H-pyrrol-5-one has a molecular weight of 192.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-1-enyl]-1-methyl-4-(methyliminomethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 143839051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).