(2S)-N-cyclopropyl-1-non-8-enoylpyrrolidine-2-carboxamide;2,2-dimethylpropane;ethane;ethene

C28H56N2O2 — CID 143671394

IUPAC(2S)-N-cyclopropyl-1-non-8-enoylpyrrolidine-2-carboxamide;2,2-dimethylpropane;ethane;ethene
SMILESC=C.C=CCCCCCCC(=O)N1CCC[C@H]1C(=O)NC1CC1.CC.CC.CC(C)(C)C
InChIInChI=1S/C17H28N2O2.C5H12.2C2H6.C2H4/c1-2-3-4-5-6-7-10-16(20)19-13-8-9-15(19)17(21)18-14-11-12-14;1-5(2,3)4;3*1-2/h2,14-15H,1,3-13H2,(H,18,21);1-4H3;2*1-2H3;1-2H2/t15-;;;;/m0..../s1
InChIKeyPDQIMKQYYCSXDU-FWELSTJRSA-N
MW452.77 g/mol
LogP7.69
Rot. Bonds9

About (2S)-N-cyclopropyl-1-non-8-enoylpyrrolidine-2-carboxamide;2,2-dimethylpropane;ethane;ethene

(2S)-N-cyclopropyl-1-non-8-enoylpyrrolidine-2-carboxamide;2,2-dimethylpropane;ethane;ethene (PubChem CID 143671394) has the molecular formula C28H56N2O2 and a molecular weight of 452.77 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-1-non-8-enoylpyrrolidine-2-carboxamide;2,2-dimethylpropane;ethane;ethene.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-1-non-8-enoylpyrrolidine-2-carboxamide;2,2-dimethylpropane;ethane;ethene
PubChem CID143671394
Molecular FormulaC28H56N2O2
Molecular Weight452.77 g/mol
Exact Mass452.43
IUPAC Name(2S)-N-cyclopropyl-1-non-8-enoylpyrrolidine-2-carboxamide;2,2-dimethylpropane;ethane;ethene
SMILESC=C.C=CCCCCCCC(=O)N1CCC[C@H]1C(=O)NC1CC1.CC.CC.CC(C)(C)C
InChIInChI=1S/C17H28N2O2.C5H12.2C2H6.C2H4/c1-2-3-4-5-6-7-10-16(20)19-13-8-9-15(19)17(21)18-14-11-12-14;1-5(2,3)4;3*1-2/h2,14-15H,1,3-13H2,(H,18,21);1-4H3;2*1-2H3;1-2H2/t15-;;;;/m0..../s1
InChIKeyPDQIMKQYYCSXDU-FWELSTJRSA-N
XLogP7.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.77
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetylene;tert-butyl 4-[(2S)-2-(cyclopropylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoate;ethene;ethyl formate;hept-1-ene
CID 143610973
1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 54875325
(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833452
(2S)-N-cyclopropyl-1-(3-prop-2-enylphosphanylpropanoyl)pyrrolidine-2-carboxamide;ethene;formic acid
CID 143671437
tert-butyl (2S)-2-hept-6-enoylpyrrolidine-1-carboxylate
CID 146165167
N-cyclopropyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 60733576
1-(3-aminopropanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60939858
tert-butyl (2S)-2-hex-5-enoylpyrrolidine-1-carboxylate
CID 162183794
tert-butyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate;ethene;ethyl formate
CID 143405049
tert-butyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate;ethane;ethene;ethyl formate
CID 143731882
(2S)-N-(4-benzamidocyclohexyl)-1-octanoylpyrrolidine-2-carboxamide
CID 51071438
prop-2-enyl (2S)-1-hex-5-enoylpyrrolidine-2-carboxylate
CID 90084445

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-1-non-8-enoylpyrrolidine-2-carboxamide;2,2-dimethylpropane;ethane;ethene?
The IUPAC name of (2S)-N-cyclopropyl-1-non-8-enoylpyrrolidine-2-carboxamide;2,2-dimethylpropane;ethane;ethene (CID 143671394) is (2S)-N-cyclopropyl-1-non-8-enoylpyrrolidine-2-carboxamide;2,2-dimethylpropane;ethane;ethene.
What is the SMILES notation for (2S)-N-cyclopropyl-1-non-8-enoylpyrrolidine-2-carboxamide;2,2-dimethylpropane;ethane;ethene?
The canonical SMILES for (2S)-N-cyclopropyl-1-non-8-enoylpyrrolidine-2-carboxamide;2,2-dimethylpropane;ethane;ethene is C=C.C=CCCCCCCC(=O)N1CCC[C@H]1C(=O)NC1CC1.CC.CC.CC(C)(C)C.
What is the InChIKey of (2S)-N-cyclopropyl-1-non-8-enoylpyrrolidine-2-carboxamide;2,2-dimethylpropane;ethane;ethene?
The InChIKey is PDQIMKQYYCSXDU-FWELSTJRSA-N. The full InChI is InChI=1S/C17H28N2O2.C5H12.2C2H6.C2H4/c1-2-3-4-5-6-7-10-16(20)19-13-8-9-15(19)17(21)18-14-11-12-14;1-5(2,3)4;3*1-2/h2,14-15H,1,3-13H2,(H,18,21);1-4H3;2*1-2H3;1-2H2/t15-;;;;/m0..../s1.
What are the key properties of (2S)-N-cyclopropyl-1-non-8-enoylpyrrolidine-2-carboxamide;2,2-dimethylpropane;ethane;ethene?
(2S)-N-cyclopropyl-1-non-8-enoylpyrrolidine-2-carboxamide;2,2-dimethylpropane;ethane;ethene has a molecular weight of 452.77 g/mol, XLogP of 7.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-1-non-8-enoylpyrrolidine-2-carboxamide;2,2-dimethylpropane;ethane;ethene is sourced from PubChem (CID 143671394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).