2-hydroxyethyl 2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enoate

C10H15NO4 — CID 140694513

IUPAC2-hydroxyethyl 2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enoate
SMILESC=C(CN1CCCC1=O)C(=O)OCCO
InChIInChI=1S/C10H15NO4/c1-8(10(14)15-6-5-12)7-11-4-2-3-9(11)13/h12H,1-7H2
InChIKeyCCZIRPCWMMWNDQ-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.30
Rot. Bonds5

About 2-hydroxyethyl 2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enoate

2-hydroxyethyl 2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enoate (PubChem CID 140694513) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-hydroxyethyl 2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enoate
PubChem CID140694513
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-hydroxyethyl 2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enoate
SMILESC=C(CN1CCCC1=O)C(=O)OCCO
InChIInChI=1S/C10H15NO4/c1-8(10(14)15-6-5-12)7-11-4-2-3-9(11)13/h12H,1-7H2
InChIKeyCCZIRPCWMMWNDQ-UHFFFAOYSA-N
XLogP-0.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.30
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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Related Compounds

2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
CID 57303794
nonyl 2-(2-oxopyrrolidin-1-yl)acetate
CID 10778404
2-[3-(2-oxopyrrolidin-1-yl)propoxy]ethyl 2-methylprop-2-enoate
CID 139715962
2-[(2-oxopyrrolidin-1-yl)methyl]-N-[(Z)-pent-2-en-3-yl]prop-2-enamide
CID 123396734
1-(2-oxopentyl)pyrrolidin-2-one
CID 62043134
2-(2-oxopyrrolidin-1-yl)ethyl carbamate
CID 118350046
3-(2-oxopyrrolidin-1-yl)propyl acetate
CID 71390643
3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate
CID 55401507
arsane;1-(2-hydroxyethyl)pyrrolidin-2-one
CID 174911308
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
N-[3-(dimethylamino)pent-1-en-3-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide
CID 18671086
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 115700259

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enoate?
The IUPAC name of 2-hydroxyethyl 2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enoate (CID 140694513) is 2-hydroxyethyl 2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl 2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enoate?
The canonical SMILES for 2-hydroxyethyl 2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enoate is C=C(CN1CCCC1=O)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enoate?
The InChIKey is CCZIRPCWMMWNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-8(10(14)15-6-5-12)7-11-4-2-3-9(11)13/h12H,1-7H2.
What are the key properties of 2-hydroxyethyl 2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enoate?
2-hydroxyethyl 2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enoate has a molecular weight of 213.23 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enoate is sourced from PubChem (CID 140694513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).