(3S)-3-[(2S,3E)-2-(methylamino)-3-(2-oxooxolan-3-ylidene)propyl]pyrrolidin-2-one

C12H18N2O3 — CID 59975133

IUPAC(3S)-3-[(2S,3E)-2-(methylamino)-3-(2-oxooxolan-3-ylidene)propyl]pyrrolidin-2-one
SMILESCN[C@H](/C=C1\CCOC1=O)C[C@@H]1CCNC1=O
InChIInChI=1S/C12H18N2O3/c1-13-10(6-8-2-4-14-11(8)15)7-9-3-5-17-12(9)16/h7-8,10,13H,2-6H2,1H3,(H,14,15)/b9-7+/t8-,10-/m0/s1
InChIKeyGNWMLYMMOSAYHD-CFHQGVHJSA-N
MW238.29 g/mol
LogP-0.03
Rot. Bonds4

About (3S)-3-[(2S,3E)-2-(methylamino)-3-(2-oxooxolan-3-ylidene)propyl]pyrrolidin-2-one

(3S)-3-[(2S,3E)-2-(methylamino)-3-(2-oxooxolan-3-ylidene)propyl]pyrrolidin-2-one (PubChem CID 59975133) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is (3S)-3-[(2S,3E)-2-(methylamino)-3-(2-oxooxolan-3-ylidene)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(2S,3E)-2-(methylamino)-3-(2-oxooxolan-3-ylidene)propyl]pyrrolidin-2-one
PubChem CID59975133
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name(3S)-3-[(2S,3E)-2-(methylamino)-3-(2-oxooxolan-3-ylidene)propyl]pyrrolidin-2-one
SMILESCN[C@H](/C=C1\CCOC1=O)C[C@@H]1CCNC1=O
InChIInChI=1S/C12H18N2O3/c1-13-10(6-8-2-4-14-11(8)15)7-9-3-5-17-12(9)16/h7-8,10,13H,2-6H2,1H3,(H,14,15)/b9-7+/t8-,10-/m0/s1
InChIKeyGNWMLYMMOSAYHD-CFHQGVHJSA-N
XLogP-0.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S)-3-[(2S,3E)-2-(methylamino)-3-(2-oxooxolan-3-ylidene)propyl]pyrrolidin-2-one with MolForge

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Related Compounds

ethyl (Z)-4-amino-2-fluoro-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
CID 168181339
(2S)-4,4-difluoro-N-[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]piperidine-2-carboxamide
CID 168181693
ethyl (Z,4S)-4-amino-2-fluoro-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 168183041
ethyl (E)-2-methyl-3-[(2S)-5-oxopyrrolidin-2-yl]prop-2-enoate
CID 135039747
(e)-(s)-4-((s)-2-Pent-4-ynoylamino)-5-((s)-2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester
CID 162787766
ethyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
CID 9949254
cyclopentyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 10861481
(2E,4S)-4-[(tert-Butyloxycarbonyl)amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid Eethyl Ester
CID 10903510
(2E,4S)-4-Amino-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid Ethyl Ester
CID 11042424
propan-2-yl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 11046081
ethyl (E,4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 11067781
ethyl (E)-4-(4-oxopentanoylamino)-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
CID 20769088

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2S,3E)-2-(methylamino)-3-(2-oxooxolan-3-ylidene)propyl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-[(2S,3E)-2-(methylamino)-3-(2-oxooxolan-3-ylidene)propyl]pyrrolidin-2-one (CID 59975133) is (3S)-3-[(2S,3E)-2-(methylamino)-3-(2-oxooxolan-3-ylidene)propyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[(2S,3E)-2-(methylamino)-3-(2-oxooxolan-3-ylidene)propyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[(2S,3E)-2-(methylamino)-3-(2-oxooxolan-3-ylidene)propyl]pyrrolidin-2-one is CN[C@H](/C=C1\CCOC1=O)C[C@@H]1CCNC1=O.
What is the InChIKey of (3S)-3-[(2S,3E)-2-(methylamino)-3-(2-oxooxolan-3-ylidene)propyl]pyrrolidin-2-one?
The InChIKey is GNWMLYMMOSAYHD-CFHQGVHJSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-13-10(6-8-2-4-14-11(8)15)7-9-3-5-17-12(9)16/h7-8,10,13H,2-6H2,1H3,(H,14,15)/b9-7+/t8-,10-/m0/s1.
What are the key properties of (3S)-3-[(2S,3E)-2-(methylamino)-3-(2-oxooxolan-3-ylidene)propyl]pyrrolidin-2-one?
(3S)-3-[(2S,3E)-2-(methylamino)-3-(2-oxooxolan-3-ylidene)propyl]pyrrolidin-2-one has a molecular weight of 238.29 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2S,3E)-2-(methylamino)-3-(2-oxooxolan-3-ylidene)propyl]pyrrolidin-2-one is sourced from PubChem (CID 59975133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).