(5R)-5-ethenyl-1-prop-2-enylpyrrolidin-2-one

C9H13NO — CID 101498483

IUPAC(5R)-5-ethenyl-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1C(=O)CC[C@@H]1C=C
InChIInChI=1S/C9H13NO/c1-3-7-10-8(4-2)5-6-9(10)11/h3-4,8H,1-2,5-7H2/t8-/m0/s1
InChIKeyMFDRGFKORFLEKD-QMMMGPOBSA-N
MW151.21 g/mol
LogP1.35
Rot. Bonds3

About (5R)-5-ethenyl-1-prop-2-enylpyrrolidin-2-one

(5R)-5-ethenyl-1-prop-2-enylpyrrolidin-2-one (PubChem CID 101498483) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (5R)-5-ethenyl-1-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-ethenyl-1-prop-2-enylpyrrolidin-2-one
PubChem CID101498483
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(5R)-5-ethenyl-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1C(=O)CC[C@@H]1C=C
InChIInChI=1S/C9H13NO/c1-3-7-10-8(4-2)5-6-9(10)11/h3-4,8H,1-2,5-7H2/t8-/m0/s1
InChIKeyMFDRGFKORFLEKD-QMMMGPOBSA-N
XLogP1.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
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 (5R)-5-ethenyl-1-prop-2-enylpyrrolidin-2-one?
The IUPAC name of (5R)-5-ethenyl-1-prop-2-enylpyrrolidin-2-one (CID 101498483) is (5R)-5-ethenyl-1-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for (5R)-5-ethenyl-1-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for (5R)-5-ethenyl-1-prop-2-enylpyrrolidin-2-one is C=CCN1C(=O)CC[C@@H]1C=C.
What is the InChIKey of (5R)-5-ethenyl-1-prop-2-enylpyrrolidin-2-one?
The InChIKey is MFDRGFKORFLEKD-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-7-10-8(4-2)5-6-9(10)11/h3-4,8H,1-2,5-7H2/t8-/m0/s1.
What are the key properties of (5R)-5-ethenyl-1-prop-2-enylpyrrolidin-2-one?
(5R)-5-ethenyl-1-prop-2-enylpyrrolidin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethenyl-1-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 101498483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).