1-[(2S)-1-acetyl-4-(2-ethenylpent-4-enyl)pyrrolidin-2-yl]ethanone;ethane

C19H35NO2 — CID 143012110

IUPAC1-[(2S)-1-acetyl-4-(2-ethenylpent-4-enyl)pyrrolidin-2-yl]ethanone;ethane
SMILESC=CCC(C=C)CC1C[C@@H](C(C)=O)N(C(C)=O)C1.CC.CC
InChIInChI=1S/C15H23NO2.2C2H6/c1-5-7-13(6-2)8-14-9-15(11(3)17)16(10-14)12(4)18;2*1-2/h5-6,13-15H,1-2,7-10H2,3-4H3;2*1-2H3/t13?,14?,15-;;/m0../s1
InChIKeyFHKOOLFNWUWTJQ-WLVQHHMXSA-N
MW309.49 g/mol
LogP4.63
Rot. Bonds6

About 1-[(2S)-1-acetyl-4-(2-ethenylpent-4-enyl)pyrrolidin-2-yl]ethanone;ethane

1-[(2S)-1-acetyl-4-(2-ethenylpent-4-enyl)pyrrolidin-2-yl]ethanone;ethane (PubChem CID 143012110) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is 1-[(2S)-1-acetyl-4-(2-ethenylpent-4-enyl)pyrrolidin-2-yl]ethanone;ethane.

Molecular Properties

Compound Name1-[(2S)-1-acetyl-4-(2-ethenylpent-4-enyl)pyrrolidin-2-yl]ethanone;ethane
PubChem CID143012110
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC Name1-[(2S)-1-acetyl-4-(2-ethenylpent-4-enyl)pyrrolidin-2-yl]ethanone;ethane
SMILESC=CCC(C=C)CC1C[C@@H](C(C)=O)N(C(C)=O)C1.CC.CC
InChIInChI=1S/C15H23NO2.2C2H6/c1-5-7-13(6-2)8-14-9-15(11(3)17)16(10-14)12(4)18;2*1-2/h5-6,13-15H,1-2,7-10H2,3-4H3;2*1-2H3/t13?,14?,15-;;/m0../s1
InChIKeyFHKOOLFNWUWTJQ-WLVQHHMXSA-N
XLogP4.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 54.63
H-Bond Donors ≤ 50
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 1-[(2S)-1-acetyl-4-(2-ethenylpent-4-enyl)pyrrolidin-2-yl]ethanone;ethane?
The IUPAC name of 1-[(2S)-1-acetyl-4-(2-ethenylpent-4-enyl)pyrrolidin-2-yl]ethanone;ethane (CID 143012110) is 1-[(2S)-1-acetyl-4-(2-ethenylpent-4-enyl)pyrrolidin-2-yl]ethanone;ethane.
What is the SMILES notation for 1-[(2S)-1-acetyl-4-(2-ethenylpent-4-enyl)pyrrolidin-2-yl]ethanone;ethane?
The canonical SMILES for 1-[(2S)-1-acetyl-4-(2-ethenylpent-4-enyl)pyrrolidin-2-yl]ethanone;ethane is C=CCC(C=C)CC1C[C@@H](C(C)=O)N(C(C)=O)C1.CC.CC.
What is the InChIKey of 1-[(2S)-1-acetyl-4-(2-ethenylpent-4-enyl)pyrrolidin-2-yl]ethanone;ethane?
The InChIKey is FHKOOLFNWUWTJQ-WLVQHHMXSA-N. The full InChI is InChI=1S/C15H23NO2.2C2H6/c1-5-7-13(6-2)8-14-9-15(11(3)17)16(10-14)12(4)18;2*1-2/h5-6,13-15H,1-2,7-10H2,3-4H3;2*1-2H3/t13?,14?,15-;;/m0../s1.
What are the key properties of 1-[(2S)-1-acetyl-4-(2-ethenylpent-4-enyl)pyrrolidin-2-yl]ethanone;ethane?
1-[(2S)-1-acetyl-4-(2-ethenylpent-4-enyl)pyrrolidin-2-yl]ethanone;ethane has a molecular weight of 309.49 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-acetyl-4-(2-ethenylpent-4-enyl)pyrrolidin-2-yl]ethanone;ethane is sourced from PubChem (CID 143012110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).