(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 73352938
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 73356020
1-acetyl-N-(cyclopropylmethyl)-5-methyl-2H-pyrrole-5-carboxamide
CID 5459671
2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide
CID 95627711
(2S)-N-cyclohexyl-N-(cyclopropylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 164642181
N-(1,5-Dimethyl-4-hexenyl)-2-(pyrrolidinyl)acetamide hydrochloride
CID 11971597
(2S,4R)-4-Amino-1-[(4Z)-hept-4-EN-1-YL]-N-isopropylpyrrolidine-2-carboxamide
CID 56712238
(2R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide
CID 110244525
2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-N-methylacetamide
CID 19101391
N-ethyl-1-methyl-2,5-dihydropyrrole-2-carboxamide
CID 53879855
(3R,6S,8Z,10aR)-6-(tert-butylamino)-3-methyl-2,3,6,7,10,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-5-one
CID 57612819
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 57812282

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).