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

C13H18N2O3 — CID 66882366

IUPACN-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H]1CCC[C@@H]1N1C(=O)C=CC1=O
InChIInChI=1S/C13H18N2O3/c1-8(2)13(18)14-9-4-3-5-10(9)15-11(16)6-7-12(15)17/h6-10H,3-5H2,1-2H3,(H,14,18)/t9-,10-/m0/s1
InChIKeyZDYWVHWHGTWUFA-UWVGGRQHSA-N
MW250.30 g/mol
LogP0.60
Rot. Bonds3

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

N-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2-methylpropanamide (PubChem CID 66882366) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2-methylpropanamide
PubChem CID66882366
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H]1CCC[C@@H]1N1C(=O)C=CC1=O
InChIInChI=1S/C13H18N2O3/c1-8(2)13(18)14-9-4-3-5-10(9)15-11(16)6-7-12(15)17/h6-10H,3-5H2,1-2H3,(H,14,18)/t9-,10-/m0/s1
InChIKeyZDYWVHWHGTWUFA-UWVGGRQHSA-N
XLogP0.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.60
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-methylpropanamide?
The IUPAC name of N-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2-methylpropanamide (CID 66882366) is N-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2-methylpropanamide.
What is the SMILES notation for N-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2-methylpropanamide?
The canonical SMILES for N-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2-methylpropanamide is CC(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-methylpropanamide?
The InChIKey is ZDYWVHWHGTWUFA-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8(2)13(18)14-9-4-3-5-10(9)15-11(16)6-7-12(15)17/h6-10H,3-5H2,1-2H3,(H,14,18)/t9-,10-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2-methylpropanamide?
N-[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl]-2-methylpropanamide has a molecular weight of 250.30 g/mol, XLogP of 0.60, 3 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-methylpropanamide is sourced from PubChem (CID 66882366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).