N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide

C10H15N3O3 — CID 79280076

IUPACN-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C10H15N3O3/c1-2-5-11-6-9(15)12-7-3-4-8(14)13-10(7)16/h2,7,11H,1,3-6H2,(H,12,15)(H,13,14,16)
InChIKeyZOKRQFBXGKVWLH-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.32
Rot. Bonds5

About N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide

N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide (PubChem CID 79280076) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
PubChem CID79280076
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C10H15N3O3/c1-2-5-11-6-9(15)12-7-3-4-8(14)13-10(7)16/h2,7,11H,1,3-6H2,(H,12,15)(H,13,14,16)
InChIKeyZOKRQFBXGKVWLH-UHFFFAOYSA-N
XLogP-1.32
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)but-3-enamide
CID 65439330
N-(6-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
CID 79280048
N-(2-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
CID 79278000
N-(2,6-dioxopiperidin-3-yl)-2-(7-oxoazepan-2-yl)acetamide
CID 136540043
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-ethylidene-5-methylhept-4-enamide;ethane
CID 177318636
N-(2,6-dioxopiperidin-3-yl)-2-(2-oxopiperidin-1-yl)acetamide
CID 127622640
N-cyclopentyl-2-(prop-2-enylamino)acetamide
CID 28563506
(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

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide (CID 79280076) is N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide?
The InChIKey is ZOKRQFBXGKVWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-5-11-6-9(15)12-7-3-4-8(14)13-10(7)16/h2,7,11H,1,3-6H2,(H,12,15)(H,13,14,16).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide?
N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide has a molecular weight of 225.25 g/mol, XLogP of -1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79280076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).