N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide

C14H16N2O4 — CID 155358156

IUPACN-(2,6-dioxopiperidin-3-yl)-N-formyl-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide
SMILESCC1=CCC(C)=C1C(=O)N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C14H16N2O4/c1-8-3-4-9(2)12(8)14(20)16(7-17)10-5-6-11(18)15-13(10)19/h3,7,10H,4-6H2,1-2H3,(H,15,18,19)
InChIKeyFQQRWRKMKMQPPR-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.44
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide

N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide (PubChem CID 155358156) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N-formyl-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide
PubChem CID155358156
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N-formyl-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide
SMILESCC1=CCC(C)=C1C(=O)N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C14H16N2O4/c1-8-3-4-9(2)12(8)14(20)16(7-17)10-5-6-11(18)15-13(10)19/h3,7,10H,4-6H2,1-2H3,(H,15,18,19)
InChIKeyFQQRWRKMKMQPPR-UHFFFAOYSA-N
XLogP0.44
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-formyl-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide (CID 155358156) is N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide is CC1=CCC(C)=C1C(=O)N(C=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide?
The InChIKey is FQQRWRKMKMQPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8-3-4-9(2)12(8)14(20)16(7-17)10-5-6-11(18)15-13(10)19/h3,7,10H,4-6H2,1-2H3,(H,15,18,19).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 0.44, 3 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-formyl-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide is sourced from PubChem (CID 155358156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).