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

C7H11NO — CID 641555

IUPAC(5S)-5-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@@H]1CCC(=O)N1
InChIInChI=1S/C7H11NO/c1-2-3-6-4-5-7(9)8-6/h2,6H,1,3-5H2,(H,8,9)/t6-/m1/s1
InChIKeyMTQHQPMELNYAAW-ZCFIWIBFSA-N
MW125.17 g/mol
LogP0.84
Rot. Bonds2

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

(5S)-5-prop-2-enylpyrrolidin-2-one (PubChem CID 641555) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (5S)-5-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-prop-2-enylpyrrolidin-2-one
PubChem CID641555
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(5S)-5-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@@H]1CCC(=O)N1
InChIInChI=1S/C7H11NO/c1-2-3-6-4-5-7(9)8-6/h2,6H,1,3-5H2,(H,8,9)/t6-/m1/s1
InChIKeyMTQHQPMELNYAAW-ZCFIWIBFSA-N
XLogP0.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-prop-2-enylpyrrolidin-2-one?
The IUPAC name of (5S)-5-prop-2-enylpyrrolidin-2-one (CID 641555) is (5S)-5-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-prop-2-enylpyrrolidin-2-one is C=CC[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-prop-2-enylpyrrolidin-2-one?
The InChIKey is MTQHQPMELNYAAW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-3-6-4-5-7(9)8-6/h2,6H,1,3-5H2,(H,8,9)/t6-/m1/s1.
What are the key properties of (5S)-5-prop-2-enylpyrrolidin-2-one?
(5S)-5-prop-2-enylpyrrolidin-2-one has a molecular weight of 125.17 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 641555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).