5-(2-oxopyrrolidin-1-yl)pentoxymethyl 2-methylprop-2-enoate

C14H23NO4 — CID 139715946

IUPAC5-(2-oxopyrrolidin-1-yl)pentoxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCOCCCCCN1CCCC1=O
InChIInChI=1S/C14H23NO4/c1-12(2)14(17)19-11-18-10-5-3-4-8-15-9-6-7-13(15)16/h1,3-11H2,2H3
InChIKeyUNTVKBVDFAPVHO-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.87
Rot. Bonds9

About 5-(2-oxopyrrolidin-1-yl)pentoxymethyl 2-methylprop-2-enoate

5-(2-oxopyrrolidin-1-yl)pentoxymethyl 2-methylprop-2-enoate (PubChem CID 139715946) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 5-(2-oxopyrrolidin-1-yl)pentoxymethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name5-(2-oxopyrrolidin-1-yl)pentoxymethyl 2-methylprop-2-enoate
PubChem CID139715946
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name5-(2-oxopyrrolidin-1-yl)pentoxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCOCCCCCN1CCCC1=O
InChIInChI=1S/C14H23NO4/c1-12(2)14(17)19-11-18-10-5-3-4-8-15-9-6-7-13(15)16/h1,3-11H2,2H3
InChIKeyUNTVKBVDFAPVHO-UHFFFAOYSA-N
XLogP1.87
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-oxopyrrolidin-1-yl)propoxy]ethyl 2-methylprop-2-enoate
CID 139715962
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
3-(2-oxopyrrolidin-1-yl)propyl acetate
CID 71390643
1-[3-[4-(2-oxopyrrolidin-1-yl)butoxy]propyl]azepan-2-one
CID 67617639
1-[4-[4-(2-oxoazepan-1-yl)butoxy]butyl]azepan-2-one;1-[3-[3-(2-oxoazepan-1-yl)propoxy]propyl]azepan-2-one;1-[4-[4-(2-oxopiperidin-1-yl)butoxy]butyl]piperidin-2-one
CID 159014559
1-[3-[4-(2-oxopiperidin-1-yl)butoxy]propyl]azepan-2-one
CID 67613855
6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;6-(2-oxopyrrolidin-1-yl)hexyl acetate
CID 145314594
1-[4-[(2-oxopyrrolidin-1-yl)methoxy]butyl]azepan-2-one
CID 67979069
1-[4-[(2-oxopiperidin-1-yl)methoxy]butyl]piperidin-2-one
CID 57384624
3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate
CID 123583092
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
1-dodecylpyrrolidin-2-one
CID 70222371

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxopyrrolidin-1-yl)pentoxymethyl 2-methylprop-2-enoate?
The IUPAC name of 5-(2-oxopyrrolidin-1-yl)pentoxymethyl 2-methylprop-2-enoate (CID 139715946) is 5-(2-oxopyrrolidin-1-yl)pentoxymethyl 2-methylprop-2-enoate.
What is the SMILES notation for 5-(2-oxopyrrolidin-1-yl)pentoxymethyl 2-methylprop-2-enoate?
The canonical SMILES for 5-(2-oxopyrrolidin-1-yl)pentoxymethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCOCCCCCN1CCCC1=O.
What is the InChIKey of 5-(2-oxopyrrolidin-1-yl)pentoxymethyl 2-methylprop-2-enoate?
The InChIKey is UNTVKBVDFAPVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-12(2)14(17)19-11-18-10-5-3-4-8-15-9-6-7-13(15)16/h1,3-11H2,2H3.
What are the key properties of 5-(2-oxopyrrolidin-1-yl)pentoxymethyl 2-methylprop-2-enoate?
5-(2-oxopyrrolidin-1-yl)pentoxymethyl 2-methylprop-2-enoate has a molecular weight of 269.34 g/mol, XLogP of 1.87, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxopyrrolidin-1-yl)pentoxymethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139715946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).