1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione

C14H15N3O4 — CID 153330333

IUPAC1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione
SMILESC=C1CC(=O)N(C2CCC(=O)NC2=O)C(=O)/C1=N/C=C\C
InChIInChI=1S/C14H15N3O4/c1-3-6-15-12-8(2)7-11(19)17(14(12)21)9-4-5-10(18)16-13(9)20/h3,6,9H,2,4-5,7H2,1H3,(H,16,18,20)/b6-3-,15-12+
InChIKeyKYLZEEMZVJBQQR-RQHWPNAZSA-N
MW289.29 g/mol
LogP0.08
Rot. Bonds2

About 1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione

1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione (PubChem CID 153330333) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione.

Molecular Properties

Compound Name1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione
PubChem CID153330333
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione
SMILESC=C1CC(=O)N(C2CCC(=O)NC2=O)C(=O)/C1=N/C=C\C
InChIInChI=1S/C14H15N3O4/c1-3-6-15-12-8(2)7-11(19)17(14(12)21)9-4-5-10(18)16-13(9)20/h3,6,9H,2,4-5,7H2,1H3,(H,16,18,20)/b6-3-,15-12+
InChIKeyKYLZEEMZVJBQQR-RQHWPNAZSA-N
XLogP0.08
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione?
The IUPAC name of 1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione (CID 153330333) is 1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione.
What is the SMILES notation for 1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione?
The canonical SMILES for 1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione is C=C1CC(=O)N(C2CCC(=O)NC2=O)C(=O)/C1=N/C=C\C.
What is the InChIKey of 1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione?
The InChIKey is KYLZEEMZVJBQQR-RQHWPNAZSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-3-6-15-12-8(2)7-11(19)17(14(12)21)9-4-5-10(18)16-13(9)20/h3,6,9H,2,4-5,7H2,1H3,(H,16,18,20)/b6-3-,15-12+.
What are the key properties of 1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione?
1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione has a molecular weight of 289.29 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione is sourced from PubChem (CID 153330333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).