4-ethenyl-1-propan-2-yl-3-(propylideneamino)-2H-pyrrol-5-one

C12H18N2O — CID 170081850

IUPAC4-ethenyl-1-propan-2-yl-3-(propylideneamino)-2H-pyrrol-5-one
SMILESC=CC1=C(/N=C/CC)CN(C(C)C)C1=O
InChIInChI=1S/C12H18N2O/c1-5-7-13-11-8-14(9(3)4)12(15)10(11)6-2/h6-7,9H,2,5,8H2,1,3-4H3/b13-7+
InChIKeyOWKIJRAYQVBEGN-NTUHNPAUSA-N
MW206.29 g/mol
LogP2.16
Rot. Bonds4

About 4-ethenyl-1-propan-2-yl-3-(propylideneamino)-2H-pyrrol-5-one

4-ethenyl-1-propan-2-yl-3-(propylideneamino)-2H-pyrrol-5-one (PubChem CID 170081850) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-ethenyl-1-propan-2-yl-3-(propylideneamino)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-ethenyl-1-propan-2-yl-3-(propylideneamino)-2H-pyrrol-5-one
PubChem CID170081850
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-ethenyl-1-propan-2-yl-3-(propylideneamino)-2H-pyrrol-5-one
SMILESC=CC1=C(/N=C/CC)CN(C(C)C)C1=O
InChIInChI=1S/C12H18N2O/c1-5-7-13-11-8-14(9(3)4)12(15)10(11)6-2/h6-7,9H,2,5,8H2,1,3-4H3/b13-7+
InChIKeyOWKIJRAYQVBEGN-NTUHNPAUSA-N
XLogP2.16
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.16
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 4-ethenyl-1-propan-2-yl-3-(propylideneamino)-2H-pyrrol-5-one?
The IUPAC name of 4-ethenyl-1-propan-2-yl-3-(propylideneamino)-2H-pyrrol-5-one (CID 170081850) is 4-ethenyl-1-propan-2-yl-3-(propylideneamino)-2H-pyrrol-5-one.
What is the SMILES notation for 4-ethenyl-1-propan-2-yl-3-(propylideneamino)-2H-pyrrol-5-one?
The canonical SMILES for 4-ethenyl-1-propan-2-yl-3-(propylideneamino)-2H-pyrrol-5-one is C=CC1=C(/N=C/CC)CN(C(C)C)C1=O.
What is the InChIKey of 4-ethenyl-1-propan-2-yl-3-(propylideneamino)-2H-pyrrol-5-one?
The InChIKey is OWKIJRAYQVBEGN-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H18N2O/c1-5-7-13-11-8-14(9(3)4)12(15)10(11)6-2/h6-7,9H,2,5,8H2,1,3-4H3/b13-7+.
What are the key properties of 4-ethenyl-1-propan-2-yl-3-(propylideneamino)-2H-pyrrol-5-one?
4-ethenyl-1-propan-2-yl-3-(propylideneamino)-2H-pyrrol-5-one has a molecular weight of 206.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-propan-2-yl-3-(propylideneamino)-2H-pyrrol-5-one is sourced from PubChem (CID 170081850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).