N-cyclohex-2-en-1-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C13H18N2O3 — CID 71971167

IUPACN-cyclohex-2-en-1-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NC1C=CCCC1
InChIInChI=1S/C13H18N2O3/c16-11(14-10-4-2-1-3-5-10)8-9-15-12(17)6-7-13(15)18/h2,4,10H,1,3,5-9H2,(H,14,16)
InChIKeyXIYQWGPSMQIVID-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.75
Rot. Bonds4

About N-cyclohex-2-en-1-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-cyclohex-2-en-1-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 71971167) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID71971167
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-cyclohex-2-en-1-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NC1C=CCCC1
InChIInChI=1S/C13H18N2O3/c16-11(14-10-4-2-1-3-5-10)8-9-15-12(17)6-7-13(15)18/h2,4,10H,1,3,5-9H2,(H,14,16)
InChIKeyXIYQWGPSMQIVID-UHFFFAOYSA-N
XLogP0.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-cyclohex-2-en-1-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 71971167) is N-cyclohex-2-en-1-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-cyclohex-2-en-1-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-cyclohex-2-en-1-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide is O=C(CCN1C(=O)CCC1=O)NC1C=CCCC1.
What is the InChIKey of N-cyclohex-2-en-1-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is XIYQWGPSMQIVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-11(14-10-4-2-1-3-5-10)8-9-15-12(17)6-7-13(15)18/h2,4,10H,1,3,5-9H2,(H,14,16).
What are the key properties of N-cyclohex-2-en-1-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-cyclohex-2-en-1-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 250.30 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 71971167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).