1-ethyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2-carboxamide

C13H22N2O — CID 163830263

IUPAC1-ethyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2-carboxamide
SMILESC/C=C\C(=C/C)NC(=O)C1CCCN1CC
InChIInChI=1S/C13H22N2O/c1-4-8-11(5-2)14-13(16)12-9-7-10-15(12)6-3/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,14,16)/b8-4-,11-5+
InChIKeyODBZEURLSMTSMI-KCNOGUNESA-N
MW222.33 g/mol
LogP2.07
Rot. Bonds4

About 1-ethyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2-carboxamide

1-ethyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2-carboxamide (PubChem CID 163830263) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-ethyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2-carboxamide
PubChem CID163830263
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-ethyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2-carboxamide
SMILESC/C=C\C(=C/C)NC(=O)C1CCCN1CC
InChIInChI=1S/C13H22N2O/c1-4-8-11(5-2)14-13(16)12-9-7-10-15(12)6-3/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,14,16)/b8-4-,11-5+
InChIKeyODBZEURLSMTSMI-KCNOGUNESA-N
XLogP2.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-oxo-1-propyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 54862504
N-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]pyrrolidine-2-carboxamide
CID 143541698
(2S)-1-acetyl-N-[(Z)-1-(methylamino)-1-oxobut-2-en-2-yl]pyrrolidine-2-carboxamide
CID 14888818
(2S)-1-acetyl-N-[(E)-1-(methylamino)-1-oxobut-2-en-2-yl]pyrrolidine-2-carboxamide
CID 102585849
(2S)-N-tert-butyl-1-prop-1-en-2-ylpyrrolidine-2-carboxamide
CID 134855260
1-Pyrrolidinecarboxamide, N-1,3-butadienyl-, (E)-
CID 5463368
(2S)-1-methyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 54539887
(2S)-1-prop-1-en-2-ylpyrrolidine-2-carboxamide
CID 89084344
1-methyl-N-prop-1-en-2-ylpyrrolidine-2-carboxamide
CID 91306005
(2R)-2-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-methylamino]pentanamide
CID 141953519
N-[(E)-but-2-enyl]pyrrolidine-2-carboxamide;ethane
CID 142056483
1-prop-1-enyl-N-propylpyrrolidine-2-carboxamide
CID 142059584

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-ethyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2-carboxamide (CID 163830263) is 1-ethyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2-carboxamide is C/C=C\C(=C/C)NC(=O)C1CCCN1CC.
What is the InChIKey of 1-ethyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is ODBZEURLSMTSMI-KCNOGUNESA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-8-11(5-2)14-13(16)12-9-7-10-15(12)6-3/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,14,16)/b8-4-,11-5+.
What are the key properties of 1-ethyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2-carboxamide?
1-ethyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 163830263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).