(4R)-4-(1-methoxyprop-2-enyl)pyrrolidin-2-one

C8H13NO2 — CID 58071937

IUPAC(4R)-4-(1-methoxyprop-2-enyl)pyrrolidin-2-one
SMILESC=CC(OC)[C@H]1CNC(=O)C1
InChIInChI=1S/C8H13NO2/c1-3-7(11-2)6-4-8(10)9-5-6/h3,6-7H,1,4-5H2,2H3,(H,9,10)/t6-,7?/m1/s1
InChIKeyCWOSNEWCKLRZSS-ULUSZKPHSA-N
MW155.20 g/mol
LogP0.32
Rot. Bonds3

About (4R)-4-(1-methoxyprop-2-enyl)pyrrolidin-2-one

(4R)-4-(1-methoxyprop-2-enyl)pyrrolidin-2-one (PubChem CID 58071937) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (4R)-4-(1-methoxyprop-2-enyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(1-methoxyprop-2-enyl)pyrrolidin-2-one
PubChem CID58071937
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(4R)-4-(1-methoxyprop-2-enyl)pyrrolidin-2-one
SMILESC=CC(OC)[C@H]1CNC(=O)C1
InChIInChI=1S/C8H13NO2/c1-3-7(11-2)6-4-8(10)9-5-6/h3,6-7H,1,4-5H2,2H3,(H,9,10)/t6-,7?/m1/s1
InChIKeyCWOSNEWCKLRZSS-ULUSZKPHSA-N
XLogP0.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (4R)-4-(1-methoxyprop-2-enyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(1-methoxyprop-2-enyl)pyrrolidin-2-one (CID 58071937) is (4R)-4-(1-methoxyprop-2-enyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(1-methoxyprop-2-enyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(1-methoxyprop-2-enyl)pyrrolidin-2-one is C=CC(OC)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-(1-methoxyprop-2-enyl)pyrrolidin-2-one?
The InChIKey is CWOSNEWCKLRZSS-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-7(11-2)6-4-8(10)9-5-6/h3,6-7H,1,4-5H2,2H3,(H,9,10)/t6-,7?/m1/s1.
What are the key properties of (4R)-4-(1-methoxyprop-2-enyl)pyrrolidin-2-one?
(4R)-4-(1-methoxyprop-2-enyl)pyrrolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1-methoxyprop-2-enyl)pyrrolidin-2-one is sourced from PubChem (CID 58071937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).