(Z)-but-2-ene;N-(1-cyanoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide

C23H41F3N4O3 — CID 167521261

IUPAC(Z)-but-2-ene;N-(1-cyanoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
SMILESC/C=C\C.CC(C#N)NC=O.CC(C)C.C[C@H]1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C
InChIInChI=1S/C11H17F3N2O2.C4H6N2O.C4H10.C4H8/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14;1-4(2-5)6-3-7;1-4(2)3;1-3-4-2/h7H,4-6H2,1-3H3,(H,15,18);3-4H,1H3,(H,6,7);4H,1-3H3;3-4H,1-2H3/b;;;4-3-/t7-;;;/m0.../s1
InChIKeyQZBNMAUVCLKJMB-PCCKGNPJSA-N
MW478.60 g/mol
LogP4.06
Rot. Bonds4

About (Z)-but-2-ene;N-(1-cyanoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide

(Z)-but-2-ene;N-(1-cyanoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide (PubChem CID 167521261) has the molecular formula C23H41F3N4O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is (Z)-but-2-ene;N-(1-cyanoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name(Z)-but-2-ene;N-(1-cyanoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
PubChem CID167521261
Molecular FormulaC23H41F3N4O3
Molecular Weight478.60 g/mol
Exact Mass478.31
IUPAC Name(Z)-but-2-ene;N-(1-cyanoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
SMILESC/C=C\C.CC(C#N)NC=O.CC(C)C.C[C@H]1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C
InChIInChI=1S/C11H17F3N2O2.C4H6N2O.C4H10.C4H8/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14;1-4(2-5)6-3-7;1-4(2)3;1-3-4-2/h7H,4-6H2,1-3H3,(H,15,18);3-4H,1H3,(H,6,7);4H,1-3H3;3-4H,1-2H3/b;;;4-3-/t7-;;;/m0.../s1
InChIKeyQZBNMAUVCLKJMB-PCCKGNPJSA-N
XLogP4.06
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-but-2-ene;N-(1-cyanoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide with MolForge

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Related Compounds

N-[(E)-1-cyano-2-methylbut-2-enyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
CID 167521360
ethane;methanamine;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167521392
N-(2-amino-1-cyanoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167521799
N-[(E)-1-cyano-2-methylbut-2-enyl]formamide;ethane;ethene;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167521823
N-(2-amino-1-cyanoethyl)formamide;ethane;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167521967
N-(1-cyanopropyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167522132
N-(1-cyano-3-methylpent-4-enyl)formamide;methylcyclopropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167522213
N-[(E)-1-cyano-2-methylbut-2-enyl]formamide;ethene;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167522243
N-(1-cyanobut-3-enyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167522368
N-[(E)-1-cyanobut-2-enyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
CID 167522427
N-(1-cyanoprop-2-enyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167522466
N-(1-cyanoprop-2-enyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
CID 167522490

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;N-(1-cyanoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide?
The IUPAC name of (Z)-but-2-ene;N-(1-cyanoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide (CID 167521261) is (Z)-but-2-ene;N-(1-cyanoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide.
What is the SMILES notation for (Z)-but-2-ene;N-(1-cyanoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide?
The canonical SMILES for (Z)-but-2-ene;N-(1-cyanoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide is C/C=C\C.CC(C#N)NC=O.CC(C)C.C[C@H]1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C.
What is the InChIKey of (Z)-but-2-ene;N-(1-cyanoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide?
The InChIKey is QZBNMAUVCLKJMB-PCCKGNPJSA-N. The full InChI is InChI=1S/C11H17F3N2O2.C4H6N2O.C4H10.C4H8/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14;1-4(2-5)6-3-7;1-4(2)3;1-3-4-2/h7H,4-6H2,1-3H3,(H,15,18);3-4H,1H3,(H,6,7);4H,1-3H3;3-4H,1-2H3/b;;;4-3-/t7-;;;/m0.../s1.
What are the key properties of (Z)-but-2-ene;N-(1-cyanoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide?
(Z)-but-2-ene;N-(1-cyanoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide has a molecular weight of 478.60 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;N-(1-cyanoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 167521261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).