(4S,5S)-4-(methoxymethoxy)-1,5-bis(prop-2-enyl)pyrrolidin-2-one

C12H19NO3 — CID 44520651

IUPAC(4S,5S)-4-(methoxymethoxy)-1,5-bis(prop-2-enyl)pyrrolidin-2-one
SMILESC=CC[C@H]1[C@@H](OCOC)CC(=O)N1CC=C
InChIInChI=1S/C12H19NO3/c1-4-6-10-11(16-9-15-3)8-12(14)13(10)7-5-2/h4-5,10-11H,1-2,6-9H2,3H3/t10-,11-/m0/s1
InChIKeyUGJGPGLXNAGUSC-QWRGUYRKSA-N
MW225.29 g/mol
LogP1.34
Rot. Bonds7

About (4S,5S)-4-(methoxymethoxy)-1,5-bis(prop-2-enyl)pyrrolidin-2-one

(4S,5S)-4-(methoxymethoxy)-1,5-bis(prop-2-enyl)pyrrolidin-2-one (PubChem CID 44520651) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (4S,5S)-4-(methoxymethoxy)-1,5-bis(prop-2-enyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-(methoxymethoxy)-1,5-bis(prop-2-enyl)pyrrolidin-2-one
PubChem CID44520651
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(4S,5S)-4-(methoxymethoxy)-1,5-bis(prop-2-enyl)pyrrolidin-2-one
SMILESC=CC[C@H]1[C@@H](OCOC)CC(=O)N1CC=C
InChIInChI=1S/C12H19NO3/c1-4-6-10-11(16-9-15-3)8-12(14)13(10)7-5-2/h4-5,10-11H,1-2,6-9H2,3H3/t10-,11-/m0/s1
InChIKeyUGJGPGLXNAGUSC-QWRGUYRKSA-N
XLogP1.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(methoxymethoxy)-1,5-bis(prop-2-enyl)pyrrolidin-2-one?
The IUPAC name of (4S,5S)-4-(methoxymethoxy)-1,5-bis(prop-2-enyl)pyrrolidin-2-one (CID 44520651) is (4S,5S)-4-(methoxymethoxy)-1,5-bis(prop-2-enyl)pyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-4-(methoxymethoxy)-1,5-bis(prop-2-enyl)pyrrolidin-2-one?
The canonical SMILES for (4S,5S)-4-(methoxymethoxy)-1,5-bis(prop-2-enyl)pyrrolidin-2-one is C=CC[C@H]1[C@@H](OCOC)CC(=O)N1CC=C.
What is the InChIKey of (4S,5S)-4-(methoxymethoxy)-1,5-bis(prop-2-enyl)pyrrolidin-2-one?
The InChIKey is UGJGPGLXNAGUSC-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H19NO3/c1-4-6-10-11(16-9-15-3)8-12(14)13(10)7-5-2/h4-5,10-11H,1-2,6-9H2,3H3/t10-,11-/m0/s1.
What are the key properties of (4S,5S)-4-(methoxymethoxy)-1,5-bis(prop-2-enyl)pyrrolidin-2-one?
(4S,5S)-4-(methoxymethoxy)-1,5-bis(prop-2-enyl)pyrrolidin-2-one has a molecular weight of 225.29 g/mol, XLogP of 1.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(methoxymethoxy)-1,5-bis(prop-2-enyl)pyrrolidin-2-one is sourced from PubChem (CID 44520651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).