N-(2,6-dioxopiperidin-3-yl)but-3-enamide

C9H12N2O3 — CID 65439330

IUPACN-(2,6-dioxopiperidin-3-yl)but-3-enamide
SMILESC=CCC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C9H12N2O3/c1-2-3-7(12)10-6-4-5-8(13)11-9(6)14/h2,6H,1,3-5H2,(H,10,12)(H,11,13,14)
InChIKeyOKUVEKSMPMEAPT-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.52
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)but-3-enamide

N-(2,6-dioxopiperidin-3-yl)but-3-enamide (PubChem CID 65439330) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)but-3-enamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)but-3-enamide
PubChem CID65439330
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC NameN-(2,6-dioxopiperidin-3-yl)but-3-enamide
SMILESC=CCC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C9H12N2O3/c1-2-3-7(12)10-6-4-5-8(13)11-9(6)14/h2,6H,1,3-5H2,(H,10,12)(H,11,13,14)
InChIKeyOKUVEKSMPMEAPT-UHFFFAOYSA-N
XLogP-0.52
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
CID 79280076
2-[(2,6-dioxopiperidin-3-yl)carbamoyl-prop-2-enylamino]acetic acid
CID 79285060
2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide
CID 110186635
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide
CID 177240315
N-(2,6-dioxopiperidin-3-yl)-3-methoxy-3-methylbutanamide
CID 103021311
N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110463382
2-(2-aminoethoxy)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 79478388
N-(2,6-dioxopiperidin-3-yl)-2-(7-oxoazepan-2-yl)acetamide
CID 136540043
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane
CID 177240314
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane
CID 176695806
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidene-5-methylhept-4-enamide;ethane
CID 177318636
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 154591725

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)but-3-enamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)but-3-enamide (CID 65439330) is N-(2,6-dioxopiperidin-3-yl)but-3-enamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)but-3-enamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)but-3-enamide is C=CCC(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)but-3-enamide?
The InChIKey is OKUVEKSMPMEAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-3-7(12)10-6-4-5-8(13)11-9(6)14/h2,6H,1,3-5H2,(H,10,12)(H,11,13,14).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)but-3-enamide?
N-(2,6-dioxopiperidin-3-yl)but-3-enamide has a molecular weight of 196.21 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)but-3-enamide is sourced from PubChem (CID 65439330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).