4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide

C10H18N2O2 — CID 114617212

IUPAC4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
SMILESC=C(C)CNC(=O)C1CC(OC)CN1
InChIInChI=1S/C10H18N2O2/c1-7(2)5-12-10(13)9-4-8(14-3)6-11-9/h8-9,11H,1,4-6H2,2-3H3,(H,12,13)
InChIKeyOQTORPSYAUADDR-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.06
Rot. Bonds4

About 4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide

4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide (PubChem CID 114617212) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
PubChem CID114617212
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
SMILESC=C(C)CNC(=O)C1CC(OC)CN1
InChIInChI=1S/C10H18N2O2/c1-7(2)5-12-10(13)9-4-8(14-3)6-11-9/h8-9,11H,1,4-6H2,2-3H3,(H,12,13)
InChIKeyOQTORPSYAUADDR-UHFFFAOYSA-N
XLogP0.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
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 4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide (CID 114617212) is 4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide is C=C(C)CNC(=O)C1CC(OC)CN1.
What is the InChIKey of 4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide?
The InChIKey is OQTORPSYAUADDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(2)5-12-10(13)9-4-8(14-3)6-11-9/h8-9,11H,1,4-6H2,2-3H3,(H,12,13).
What are the key properties of 4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide?
4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide has a molecular weight of 198.27 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 114617212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).