N-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2,2-dimethylpropanamide

C14H20N2O3 — CID 66881897

IUPACN-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@H]1CCC[C@@H]1N1C(=O)C=CC1=O
InChIInChI=1S/C14H20N2O3/c1-14(2,3)13(19)15-9-5-4-6-10(9)16-11(17)7-8-12(16)18/h7-10H,4-6H2,1-3H3,(H,15,19)/t9-,10-/m0/s1
InChIKeyLKDAYHDOLXXSFO-UWVGGRQHSA-N
MW264.32 g/mol
LogP0.99
Rot. Bonds2

About N-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2,2-dimethylpropanamide

N-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2,2-dimethylpropanamide (PubChem CID 66881897) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2,2-dimethylpropanamide
PubChem CID66881897
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@H]1CCC[C@@H]1N1C(=O)C=CC1=O
InChIInChI=1S/C14H20N2O3/c1-14(2,3)13(19)15-9-5-4-6-10(9)16-11(17)7-8-12(16)18/h7-10H,4-6H2,1-3H3,(H,15,19)/t9-,10-/m0/s1
InChIKeyLKDAYHDOLXXSFO-UWVGGRQHSA-N
XLogP0.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2,2-dimethylpropanamide (CID 66881897) is N-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N[C@H]1CCC[C@@H]1N1C(=O)C=CC1=O.
What is the InChIKey of N-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2,2-dimethylpropanamide?
The InChIKey is LKDAYHDOLXXSFO-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)13(19)15-9-5-4-6-10(9)16-11(17)7-8-12(16)18/h7-10H,4-6H2,1-3H3,(H,15,19)/t9-,10-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2,2-dimethylpropanamide?
N-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2,2-dimethylpropanamide has a molecular weight of 264.32 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 66881897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).