(5R)-5-but-3-enylpyrrolidin-2-one

C8H13NO — CID 11171013

IUPAC(5R)-5-but-3-enylpyrrolidin-2-one
SMILESC=CCC[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H13NO/c1-2-3-4-7-5-6-8(10)9-7/h2,7H,1,3-6H2,(H,9,10)/t7-/m1/s1
InChIKeySYWCITUWIINULA-SSDOTTSWSA-N
MW139.20 g/mol
LogP1.23
Rot. Bonds3

About (5R)-5-but-3-enylpyrrolidin-2-one

(5R)-5-but-3-enylpyrrolidin-2-one (PubChem CID 11171013) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (5R)-5-but-3-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-but-3-enylpyrrolidin-2-one
PubChem CID11171013
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(5R)-5-but-3-enylpyrrolidin-2-one
SMILESC=CCC[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H13NO/c1-2-3-4-7-5-6-8(10)9-7/h2,7H,1,3-6H2,(H,9,10)/t7-/m1/s1
InChIKeySYWCITUWIINULA-SSDOTTSWSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.23
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 (5R)-5-but-3-enylpyrrolidin-2-one?
The IUPAC name of (5R)-5-but-3-enylpyrrolidin-2-one (CID 11171013) is (5R)-5-but-3-enylpyrrolidin-2-one.
What is the SMILES notation for (5R)-5-but-3-enylpyrrolidin-2-one?
The canonical SMILES for (5R)-5-but-3-enylpyrrolidin-2-one is C=CCC[C@@H]1CCC(=O)N1.
What is the InChIKey of (5R)-5-but-3-enylpyrrolidin-2-one?
The InChIKey is SYWCITUWIINULA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-4-7-5-6-8(10)9-7/h2,7H,1,3-6H2,(H,9,10)/t7-/m1/s1.
What are the key properties of (5R)-5-but-3-enylpyrrolidin-2-one?
(5R)-5-but-3-enylpyrrolidin-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-but-3-enylpyrrolidin-2-one is sourced from PubChem (CID 11171013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).