2-[(2-oxopyrrolidin-1-yl)methyl]-N-[(Z)-pent-2-en-3-yl]prop-2-enamide

C13H20N2O2 — CID 123396734

IUPAC2-[(2-oxopyrrolidin-1-yl)methyl]-N-[(Z)-pent-2-en-3-yl]prop-2-enamide
SMILESC=C(CN1CCCC1=O)C(=O)N/C(=C\C)CC
InChIInChI=1S/C13H20N2O2/c1-4-11(5-2)14-13(17)10(3)9-15-8-6-7-12(15)16/h4H,3,5-9H2,1-2H3,(H,14,17)/b11-4-
InChIKeyLHDBKGYKTQFLHF-WCIBSUBMSA-N
MW236.31 g/mol
LogP1.60
Rot. Bonds5

About 2-[(2-oxopyrrolidin-1-yl)methyl]-N-[(Z)-pent-2-en-3-yl]prop-2-enamide

2-[(2-oxopyrrolidin-1-yl)methyl]-N-[(Z)-pent-2-en-3-yl]prop-2-enamide (PubChem CID 123396734) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[(2-oxopyrrolidin-1-yl)methyl]-N-[(Z)-pent-2-en-3-yl]prop-2-enamide.

Molecular Properties

Compound Name2-[(2-oxopyrrolidin-1-yl)methyl]-N-[(Z)-pent-2-en-3-yl]prop-2-enamide
PubChem CID123396734
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[(2-oxopyrrolidin-1-yl)methyl]-N-[(Z)-pent-2-en-3-yl]prop-2-enamide
SMILESC=C(CN1CCCC1=O)C(=O)N/C(=C\C)CC
InChIInChI=1S/C13H20N2O2/c1-4-11(5-2)14-13(17)10(3)9-15-8-6-7-12(15)16/h4H,3,5-9H2,1-2H3,(H,14,17)/b11-4-
InChIKeyLHDBKGYKTQFLHF-WCIBSUBMSA-N
XLogP1.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)pent-1-en-3-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide
CID 18671086
1-(2-oxopentyl)pyrrolidin-2-one
CID 62043134
2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
CID 57303794
2-hydroxyethyl 2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enoate
CID 140694513
N-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen
CID 144970843
2-ethyl-4-(2-oxopyrrolidin-1-yl)but-2-enoic acid
CID 77100831
2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-N-propylacetamide
CID 56810104
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 115700259
1-(2-pyrrolidin-1-ylprop-2-enyl)azepan-2-one
CID 142011041
1-(2-hydroxyiminopropyl)pyrrolidin-2-one
CID 72586532
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 79027708
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxopyrrolidin-1-yl)methyl]-N-[(Z)-pent-2-en-3-yl]prop-2-enamide?
The IUPAC name of 2-[(2-oxopyrrolidin-1-yl)methyl]-N-[(Z)-pent-2-en-3-yl]prop-2-enamide (CID 123396734) is 2-[(2-oxopyrrolidin-1-yl)methyl]-N-[(Z)-pent-2-en-3-yl]prop-2-enamide.
What is the SMILES notation for 2-[(2-oxopyrrolidin-1-yl)methyl]-N-[(Z)-pent-2-en-3-yl]prop-2-enamide?
The canonical SMILES for 2-[(2-oxopyrrolidin-1-yl)methyl]-N-[(Z)-pent-2-en-3-yl]prop-2-enamide is C=C(CN1CCCC1=O)C(=O)N/C(=C\C)CC.
What is the InChIKey of 2-[(2-oxopyrrolidin-1-yl)methyl]-N-[(Z)-pent-2-en-3-yl]prop-2-enamide?
The InChIKey is LHDBKGYKTQFLHF-WCIBSUBMSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-11(5-2)14-13(17)10(3)9-15-8-6-7-12(15)16/h4H,3,5-9H2,1-2H3,(H,14,17)/b11-4-.
What are the key properties of 2-[(2-oxopyrrolidin-1-yl)methyl]-N-[(Z)-pent-2-en-3-yl]prop-2-enamide?
2-[(2-oxopyrrolidin-1-yl)methyl]-N-[(Z)-pent-2-en-3-yl]prop-2-enamide has a molecular weight of 236.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxopyrrolidin-1-yl)methyl]-N-[(Z)-pent-2-en-3-yl]prop-2-enamide is sourced from PubChem (CID 123396734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).