(2-oxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate

C13H20N2O4 — CID 154985371

IUPAC(2-oxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate
SMILESC=CC(=O)NCCCCCC(=O)ON1CCCC1=O
InChIInChI=1S/C13H20N2O4/c1-2-11(16)14-9-5-3-4-8-13(18)19-15-10-6-7-12(15)17/h2H,1,3-10H2,(H,14,16)
InChIKeyNMAYCCUYMIZXKA-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.93
Rot. Bonds8

About (2-oxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate

(2-oxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate (PubChem CID 154985371) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is (2-oxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate.

Molecular Properties

Compound Name(2-oxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate
PubChem CID154985371
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(2-oxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate
SMILESC=CC(=O)NCCCCCC(=O)ON1CCCC1=O
InChIInChI=1S/C13H20N2O4/c1-2-11(16)14-9-5-3-4-8-13(18)19-15-10-6-7-12(15)17/h2H,1,3-10H2,(H,14,16)
InChIKeyNMAYCCUYMIZXKA-UHFFFAOYSA-N
XLogP0.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate?
The IUPAC name of (2-oxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate (CID 154985371) is (2-oxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate.
What is the SMILES notation for (2-oxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate?
The canonical SMILES for (2-oxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate is C=CC(=O)NCCCCCC(=O)ON1CCCC1=O.
What is the InChIKey of (2-oxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate?
The InChIKey is NMAYCCUYMIZXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-2-11(16)14-9-5-3-4-8-13(18)19-15-10-6-7-12(15)17/h2H,1,3-10H2,(H,14,16).
What are the key properties of (2-oxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate?
(2-oxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate has a molecular weight of 268.31 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate is sourced from PubChem (CID 154985371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).