(E)-N,5-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]hex-3-enamide

C13H24N2O — CID 59075616

IUPAC(E)-N,5-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]hex-3-enamide
SMILESCNC(=O)C(/C=C/C(C)C)N1CCC[C@H]1C
InChIInChI=1S/C13H24N2O/c1-10(2)7-8-12(13(16)14-4)15-9-5-6-11(15)3/h7-8,10-12H,5-6,9H2,1-4H3,(H,14,16)/b8-7+/t11-,12?/m1/s1
InChIKeyFERDKYRFADWARA-OMALCBQFSA-N
MW224.35 g/mol
LogP1.80
Rot. Bonds4

About (E)-N,5-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]hex-3-enamide

(E)-N,5-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]hex-3-enamide (PubChem CID 59075616) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (E)-N,5-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]hex-3-enamide.

Molecular Properties

Compound Name(E)-N,5-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]hex-3-enamide
PubChem CID59075616
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(E)-N,5-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]hex-3-enamide
SMILESCNC(=O)C(/C=C/C(C)C)N1CCC[C@H]1C
InChIInChI=1S/C13H24N2O/c1-10(2)7-8-12(13(16)14-4)15-9-5-6-11(15)3/h7-8,10-12H,5-6,9H2,1-4H3,(H,14,16)/b8-7+/t11-,12?/m1/s1
InChIKeyFERDKYRFADWARA-OMALCBQFSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
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 (E)-N,5-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]hex-3-enamide?
The IUPAC name of (E)-N,5-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]hex-3-enamide (CID 59075616) is (E)-N,5-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]hex-3-enamide.
What is the SMILES notation for (E)-N,5-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]hex-3-enamide?
The canonical SMILES for (E)-N,5-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]hex-3-enamide is CNC(=O)C(/C=C/C(C)C)N1CCC[C@H]1C.
What is the InChIKey of (E)-N,5-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]hex-3-enamide?
The InChIKey is FERDKYRFADWARA-OMALCBQFSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(2)7-8-12(13(16)14-4)15-9-5-6-11(15)3/h7-8,10-12H,5-6,9H2,1-4H3,(H,14,16)/b8-7+/t11-,12?/m1/s1.
What are the key properties of (E)-N,5-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]hex-3-enamide?
(E)-N,5-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]hex-3-enamide has a molecular weight of 224.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,5-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]hex-3-enamide is sourced from PubChem (CID 59075616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).