(Z)-4,5-dioxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pent-2-enamide

C11H14N2O4 — CID 145315268

IUPAC(Z)-4,5-dioxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pent-2-enamide
SMILESO=CC(=O)/C=C\C(=O)NCCN1CCCC1=O
InChIInChI=1S/C11H14N2O4/c14-8-9(15)3-4-10(16)12-5-7-13-6-1-2-11(13)17/h3-4,8H,1-2,5-7H2,(H,12,16)/b4-3-
InChIKeyYMIWZMPUZRSXPZ-ARJAWSKDSA-N
MW238.24 g/mol
LogP-0.95
Rot. Bonds6

About (Z)-4,5-dioxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pent-2-enamide

(Z)-4,5-dioxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pent-2-enamide (PubChem CID 145315268) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (Z)-4,5-dioxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pent-2-enamide.

Molecular Properties

Compound Name(Z)-4,5-dioxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pent-2-enamide
PubChem CID145315268
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(Z)-4,5-dioxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pent-2-enamide
SMILESO=CC(=O)/C=C\C(=O)NCCN1CCCC1=O
InChIInChI=1S/C11H14N2O4/c14-8-9(15)3-4-10(16)12-5-7-13-6-1-2-11(13)17/h3-4,8H,1-2,5-7H2,(H,12,16)/b4-3-
InChIKeyYMIWZMPUZRSXPZ-ARJAWSKDSA-N
XLogP-0.95
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-4-[2-(2-oxoazepan-1-yl)ethylamino]but-2-enoic acid
CID 157315369
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 166506421
(Z)-4,4-dihydroxy-N-[6-(2-oxopyrrolidin-1-yl)hexyl]but-2-enamide
CID 135235066
methyl (Z)-5-oxo-5-[2-(2-oxoazepan-1-yl)ethylamino]pent-3-enoate
CID 145314582
1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one
CID 19837416
N-[2-(2-oxopiperidin-1-yl)ethyl]propanamide
CID 110722707
(Z)-5-oxo-5-[6-(2-oxoazepan-1-yl)hexylamino]pent-3-enoic acid
CID 142474411
1-(2-silylethyl)pyrrolidin-2-one
CID 154480854
3-chloro-4-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 90650238
4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid
CID 134109822
(E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 39888645
1-[2-(ethylamino)ethyl]piperidin-2-one
CID 61387338

Frequently Asked Questions

What is the IUPAC name of (Z)-4,5-dioxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pent-2-enamide?
The IUPAC name of (Z)-4,5-dioxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pent-2-enamide (CID 145315268) is (Z)-4,5-dioxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pent-2-enamide.
What is the SMILES notation for (Z)-4,5-dioxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pent-2-enamide?
The canonical SMILES for (Z)-4,5-dioxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pent-2-enamide is O=CC(=O)/C=C\C(=O)NCCN1CCCC1=O.
What is the InChIKey of (Z)-4,5-dioxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pent-2-enamide?
The InChIKey is YMIWZMPUZRSXPZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-8-9(15)3-4-10(16)12-5-7-13-6-1-2-11(13)17/h3-4,8H,1-2,5-7H2,(H,12,16)/b4-3-.
What are the key properties of (Z)-4,5-dioxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pent-2-enamide?
(Z)-4,5-dioxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pent-2-enamide has a molecular weight of 238.24 g/mol, XLogP of -0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,5-dioxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pent-2-enamide is sourced from PubChem (CID 145315268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).