(2R)-N-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide

C11H20N2O — CID 59032700

IUPAC(2R)-N-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide
SMILESCC(C)/C=C/CNC(=O)[C@H]1CCCN1
InChIInChI=1S/C11H20N2O/c1-9(2)5-3-8-13-11(14)10-6-4-7-12-10/h3,5,9-10,12H,4,6-8H2,1-2H3,(H,13,14)/b5-3+/t10-/m1/s1
InChIKeyUPIMFJSSPABBQV-RXNUUUNCSA-N
MW196.29 g/mol
LogP1.07
Rot. Bonds4

About (2R)-N-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide

(2R)-N-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide (PubChem CID 59032700) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (2R)-N-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide
PubChem CID59032700
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(2R)-N-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide
SMILESCC(C)/C=C/CNC(=O)[C@H]1CCCN1
InChIInChI=1S/C11H20N2O/c1-9(2)5-3-8-13-11(14)10-6-4-7-12-10/h3,5,9-10,12H,4,6-8H2,1-2H3,(H,13,14)/b5-3+/t10-/m1/s1
InChIKeyUPIMFJSSPABBQV-RXNUUUNCSA-N
XLogP1.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2R)-N-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide (CID 59032700) is (2R)-N-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide is CC(C)/C=C/CNC(=O)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide?
The InChIKey is UPIMFJSSPABBQV-RXNUUUNCSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(2)5-3-8-13-11(14)10-6-4-7-12-10/h3,5,9-10,12H,4,6-8H2,1-2H3,(H,13,14)/b5-3+/t10-/m1/s1.
What are the key properties of (2R)-N-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide?
(2R)-N-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 59032700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).