N-(2,6-dioxopiperidin-3-yl)-N-(4-methylpent-1-en-2-yliminomethyl)acetamide

C14H21N3O3 — CID 167060700

IUPACN-(2,6-dioxopiperidin-3-yl)-N-(4-methylpent-1-en-2-yliminomethyl)acetamide
SMILESC=C(CC(C)C)/N=C/N(C(C)=O)C1CCC(=O)NC1=O
InChIInChI=1S/C14H21N3O3/c1-9(2)7-10(3)15-8-17(11(4)18)12-5-6-13(19)16-14(12)20/h8-9,12H,3,5-7H2,1-2,4H3,(H,16,19,20)/b15-8+
InChIKeySAKKBZPMDHWCKB-OVCLIPMQSA-N
MW279.34 g/mol
LogP1.23
Rot. Bonds5

About N-(2,6-dioxopiperidin-3-yl)-N-(4-methylpent-1-en-2-yliminomethyl)acetamide

N-(2,6-dioxopiperidin-3-yl)-N-(4-methylpent-1-en-2-yliminomethyl)acetamide (PubChem CID 167060700) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-(4-methylpent-1-en-2-yliminomethyl)acetamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N-(4-methylpent-1-en-2-yliminomethyl)acetamide
PubChem CID167060700
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N-(4-methylpent-1-en-2-yliminomethyl)acetamide
SMILESC=C(CC(C)C)/N=C/N(C(C)=O)C1CCC(=O)NC1=O
InChIInChI=1S/C14H21N3O3/c1-9(2)7-10(3)15-8-17(11(4)18)12-5-6-13(19)16-14(12)20/h8-9,12H,3,5-7H2,1-2,4H3,(H,16,19,20)/b15-8+
InChIKeySAKKBZPMDHWCKB-OVCLIPMQSA-N
XLogP1.23
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-(4-methylpent-1-en-2-yliminomethyl)acetamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-(4-methylpent-1-en-2-yliminomethyl)acetamide (CID 167060700) is N-(2,6-dioxopiperidin-3-yl)-N-(4-methylpent-1-en-2-yliminomethyl)acetamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-(4-methylpent-1-en-2-yliminomethyl)acetamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-(4-methylpent-1-en-2-yliminomethyl)acetamide is C=C(CC(C)C)/N=C/N(C(C)=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-(4-methylpent-1-en-2-yliminomethyl)acetamide?
The InChIKey is SAKKBZPMDHWCKB-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)7-10(3)15-8-17(11(4)18)12-5-6-13(19)16-14(12)20/h8-9,12H,3,5-7H2,1-2,4H3,(H,16,19,20)/b15-8+.
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-(4-methylpent-1-en-2-yliminomethyl)acetamide?
N-(2,6-dioxopiperidin-3-yl)-N-(4-methylpent-1-en-2-yliminomethyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-N-(4-methylpent-1-en-2-yliminomethyl)acetamide is sourced from PubChem (CID 167060700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).