(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane

C16H26N2O3 — CID 177240314

IUPAC(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane
SMILESC/C=C(\C=C/CC)CC(=O)NC1CCC(=O)NC1=O.CC
InChIInChI=1S/C14H20N2O3.C2H6/c1-3-5-6-10(4-2)9-13(18)15-11-7-8-12(17)16-14(11)19;1-2/h4-6,11H,3,7-9H2,1-2H3,(H,15,18)(H,16,17,19);1-2H3/b6-5-,10-4+;
InChIKeyPFKXVMPSKMLSCO-VRLNUNRWSA-N
MW294.40 g/mol
LogP2.24
Rot. Bonds5

About (Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane

(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane (PubChem CID 177240314) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is (Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane.

Molecular Properties

Compound Name(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane
PubChem CID177240314
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane
SMILESC/C=C(\C=C/CC)CC(=O)NC1CCC(=O)NC1=O.CC
InChIInChI=1S/C14H20N2O3.C2H6/c1-3-5-6-10(4-2)9-13(18)15-11-7-8-12(17)16-14(11)19;1-2/h4-6,11H,3,7-9H2,1-2H3,(H,15,18)(H,16,17,19);1-2H3/b6-5-,10-4+;
InChIKeyPFKXVMPSKMLSCO-VRLNUNRWSA-N
XLogP2.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide
CID 177240315
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidene-5-methylhept-4-enamide;ethane
CID 177318636
(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane
CID 170590516
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330
ethane;S-ethyl N-(2,6-dioxopiperidin-3-yl)carbamothioate
CID 166478743
N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfonylamino]propanamide
CID 170009871
N-(2,6-dioxopiperidin-3-yl)-3-methoxy-3-methylbutanamide
CID 103021311
N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110463382
N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
CID 79280076
2-(2-aminoethoxy)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 79478388
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenepent-3-enamide;ethane;tungsten
CID 156866667
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane
CID 176695806

Frequently Asked Questions

What is the IUPAC name of (Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane?
The IUPAC name of (Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane (CID 177240314) is (Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane.
What is the SMILES notation for (Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane?
The canonical SMILES for (Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane is C/C=C(\C=C/CC)CC(=O)NC1CCC(=O)NC1=O.CC.
What is the InChIKey of (Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane?
The InChIKey is PFKXVMPSKMLSCO-VRLNUNRWSA-N. The full InChI is InChI=1S/C14H20N2O3.C2H6/c1-3-5-6-10(4-2)9-13(18)15-11-7-8-12(17)16-14(11)19;1-2/h4-6,11H,3,7-9H2,1-2H3,(H,15,18)(H,16,17,19);1-2H3/b6-5-,10-4+;.
What are the key properties of (Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane?
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane has a molecular weight of 294.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane is sourced from PubChem (CID 177240314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).