(5S)-5-(prop-2-enoxymethyl)-1-prop-2-enylpyrrolidin-2-one

C11H17NO2 — CID 54409190

IUPAC(5S)-5-(prop-2-enoxymethyl)-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCOC[C@@H]1CCC(=O)N1CC=C
InChIInChI=1S/C11H17NO2/c1-3-7-12-10(5-6-11(12)13)9-14-8-4-2/h3-4,10H,1-2,5-9H2/t10-/m0/s1
InChIKeyVSWYCSULTMAHRM-JTQLQIEISA-N
MW195.26 g/mol
LogP1.37
Rot. Bonds6

About (5S)-5-(prop-2-enoxymethyl)-1-prop-2-enylpyrrolidin-2-one

(5S)-5-(prop-2-enoxymethyl)-1-prop-2-enylpyrrolidin-2-one (PubChem CID 54409190) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (5S)-5-(prop-2-enoxymethyl)-1-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(prop-2-enoxymethyl)-1-prop-2-enylpyrrolidin-2-one
PubChem CID54409190
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(5S)-5-(prop-2-enoxymethyl)-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCOC[C@@H]1CCC(=O)N1CC=C
InChIInChI=1S/C11H17NO2/c1-3-7-12-10(5-6-11(12)13)9-14-8-4-2/h3-4,10H,1-2,5-9H2/t10-/m0/s1
InChIKeyVSWYCSULTMAHRM-JTQLQIEISA-N
XLogP1.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(prop-2-enoxymethyl)-1-prop-2-enylpyrrolidin-2-one?
The IUPAC name of (5S)-5-(prop-2-enoxymethyl)-1-prop-2-enylpyrrolidin-2-one (CID 54409190) is (5S)-5-(prop-2-enoxymethyl)-1-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(prop-2-enoxymethyl)-1-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-(prop-2-enoxymethyl)-1-prop-2-enylpyrrolidin-2-one is C=CCOC[C@@H]1CCC(=O)N1CC=C.
What is the InChIKey of (5S)-5-(prop-2-enoxymethyl)-1-prop-2-enylpyrrolidin-2-one?
The InChIKey is VSWYCSULTMAHRM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-7-12-10(5-6-11(12)13)9-14-8-4-2/h3-4,10H,1-2,5-9H2/t10-/m0/s1.
What are the key properties of (5S)-5-(prop-2-enoxymethyl)-1-prop-2-enylpyrrolidin-2-one?
(5S)-5-(prop-2-enoxymethyl)-1-prop-2-enylpyrrolidin-2-one has a molecular weight of 195.26 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(prop-2-enoxymethyl)-1-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 54409190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).