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1-(cyclopent-3-ene-1-carbonyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide

C14H22N2O3 — CID 154796380

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(cyclopent-3-ene-1-carbonyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1(COC)CCCN1C(=O)C1CC=CC1
InChIInChI=1S/C14H22N2O3/c1-15-13(18)14(10-19-2)8-5-9-16(14)12(17)11-6-3-4-7-11/h3-4,11H,5-10H2,1-2H3,(H,15,18)
InChIKeyUQILUVFPOLADRW-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.71
Rot. Bonds4

About 1-(cyclopent-3-ene-1-carbonyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide

1-(cyclopent-3-ene-1-carbonyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 154796380) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(cyclopent-3-ene-1-carbonyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopent-3-ene-1-carbonyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID154796380
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(cyclopent-3-ene-1-carbonyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1(COC)CCCN1C(=O)C1CC=CC1
InChIInChI=1S/C14H22N2O3/c1-15-13(18)14(10-19-2)8-5-9-16(14)12(17)11-6-3-4-7-11/h3-4,11H,5-10H2,1-2H3,(H,15,18)
InChIKeyUQILUVFPOLADRW-UHFFFAOYSA-N
XLogP0.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopent-3-ene-1-carbonyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclopent-3-ene-1-carbonyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide (CID 154796380) is 1-(cyclopent-3-ene-1-carbonyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopent-3-ene-1-carbonyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclopent-3-ene-1-carbonyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1(COC)CCCN1C(=O)C1CC=CC1.
What is the InChIKey of 1-(cyclopent-3-ene-1-carbonyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is UQILUVFPOLADRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-15-13(18)14(10-19-2)8-5-9-16(14)12(17)11-6-3-4-7-11/h3-4,11H,5-10H2,1-2H3,(H,15,18).
What are the key properties of 1-(cyclopent-3-ene-1-carbonyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide?
1-(cyclopent-3-ene-1-carbonyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopent-3-ene-1-carbonyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 154796380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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