(3R)-1-[(E)-4-(dimethylamino)-2-oxobut-3-enyl]-3-hydroxypyrrolidin-2-one

C10H16N2O3 — CID 70285318

IUPAC(3R)-1-[(E)-4-(dimethylamino)-2-oxobut-3-enyl]-3-hydroxypyrrolidin-2-one
SMILESCN(C)/C=C/C(=O)CN1CC[C@@H](O)C1=O
InChIInChI=1S/C10H16N2O3/c1-11(2)5-3-8(13)7-12-6-4-9(14)10(12)15/h3,5,9,14H,4,6-7H2,1-2H3/b5-3+/t9-/m1/s1
InChIKeySKDYRGHMWAAGGO-HYYFJVDXSA-N
MW212.25 g/mol
LogP-0.78
Rot. Bonds4

About (3R)-1-[(E)-4-(dimethylamino)-2-oxobut-3-enyl]-3-hydroxypyrrolidin-2-one

(3R)-1-[(E)-4-(dimethylamino)-2-oxobut-3-enyl]-3-hydroxypyrrolidin-2-one (PubChem CID 70285318) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (3R)-1-[(E)-4-(dimethylamino)-2-oxobut-3-enyl]-3-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-[(E)-4-(dimethylamino)-2-oxobut-3-enyl]-3-hydroxypyrrolidin-2-one
PubChem CID70285318
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(3R)-1-[(E)-4-(dimethylamino)-2-oxobut-3-enyl]-3-hydroxypyrrolidin-2-one
SMILESCN(C)/C=C/C(=O)CN1CC[C@@H](O)C1=O
InChIInChI=1S/C10H16N2O3/c1-11(2)5-3-8(13)7-12-6-4-9(14)10(12)15/h3,5,9,14H,4,6-7H2,1-2H3/b5-3+/t9-/m1/s1
InChIKeySKDYRGHMWAAGGO-HYYFJVDXSA-N
XLogP-0.78
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(E)-4-(dimethylamino)-2-oxobut-3-enyl]-3-hydroxypyrrolidin-2-one?
The IUPAC name of (3R)-1-[(E)-4-(dimethylamino)-2-oxobut-3-enyl]-3-hydroxypyrrolidin-2-one (CID 70285318) is (3R)-1-[(E)-4-(dimethylamino)-2-oxobut-3-enyl]-3-hydroxypyrrolidin-2-one.
What is the SMILES notation for (3R)-1-[(E)-4-(dimethylamino)-2-oxobut-3-enyl]-3-hydroxypyrrolidin-2-one?
The canonical SMILES for (3R)-1-[(E)-4-(dimethylamino)-2-oxobut-3-enyl]-3-hydroxypyrrolidin-2-one is CN(C)/C=C/C(=O)CN1CC[C@@H](O)C1=O.
What is the InChIKey of (3R)-1-[(E)-4-(dimethylamino)-2-oxobut-3-enyl]-3-hydroxypyrrolidin-2-one?
The InChIKey is SKDYRGHMWAAGGO-HYYFJVDXSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-11(2)5-3-8(13)7-12-6-4-9(14)10(12)15/h3,5,9,14H,4,6-7H2,1-2H3/b5-3+/t9-/m1/s1.
What are the key properties of (3R)-1-[(E)-4-(dimethylamino)-2-oxobut-3-enyl]-3-hydroxypyrrolidin-2-one?
(3R)-1-[(E)-4-(dimethylamino)-2-oxobut-3-enyl]-3-hydroxypyrrolidin-2-one has a molecular weight of 212.25 g/mol, XLogP of -0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(E)-4-(dimethylamino)-2-oxobut-3-enyl]-3-hydroxypyrrolidin-2-one is sourced from PubChem (CID 70285318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).