(Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-bis(ethylideneamino)prop-2-enamide

C12H16N4O3 — CID 167256622

IUPAC(Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-bis(ethylideneamino)prop-2-enamide
SMILESC/C=N/C=C(\N=C\C)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C12H16N4O3/c1-3-13-7-9(14-4-2)12(19)15-8-5-6-10(17)16-11(8)18/h3-4,7-8H,5-6H2,1-2H3,(H,15,19)(H,16,17,18)/b9-7-,13-3+,14-4+
InChIKeyCQNLELDXBKDGHX-FLUQVOSTSA-N
MW264.28 g/mol
LogP-0.07
Rot. Bonds4

About (Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-bis(ethylideneamino)prop-2-enamide

(Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-bis(ethylideneamino)prop-2-enamide (PubChem CID 167256622) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is (Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-bis(ethylideneamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-bis(ethylideneamino)prop-2-enamide
PubChem CID167256622
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name(Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-bis(ethylideneamino)prop-2-enamide
SMILESC/C=N/C=C(\N=C\C)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C12H16N4O3/c1-3-13-7-9(14-4-2)12(19)15-8-5-6-10(17)16-11(8)18/h3-4,7-8H,5-6H2,1-2H3,(H,15,19)(H,16,17,18)/b9-7-,13-3+,14-4+
InChIKeyCQNLELDXBKDGHX-FLUQVOSTSA-N
XLogP-0.07
TPSA99.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-bis(ethylideneamino)prop-2-enamide?
The IUPAC name of (Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-bis(ethylideneamino)prop-2-enamide (CID 167256622) is (Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-bis(ethylideneamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-bis(ethylideneamino)prop-2-enamide?
The canonical SMILES for (Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-bis(ethylideneamino)prop-2-enamide is C/C=N/C=C(\N=C\C)C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of (Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-bis(ethylideneamino)prop-2-enamide?
The InChIKey is CQNLELDXBKDGHX-FLUQVOSTSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-3-13-7-9(14-4-2)12(19)15-8-5-6-10(17)16-11(8)18/h3-4,7-8H,5-6H2,1-2H3,(H,15,19)(H,16,17,18)/b9-7-,13-3+,14-4+.
What are the key properties of (Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-bis(ethylideneamino)prop-2-enamide?
(Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-bis(ethylideneamino)prop-2-enamide has a molecular weight of 264.28 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-bis(ethylideneamino)prop-2-enamide is sourced from PubChem (CID 167256622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).