1-butan-2-yl-3-ethenyl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane

C15H25NO — CID 163271482

IUPAC1-butan-2-yl-3-ethenyl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane
SMILESC=CC1=C(/C=C\C)C(=O)N(C(C)CC)C1.CC
InChIInChI=1S/C13H19NO.C2H6/c1-5-8-12-11(7-3)9-14(13(12)15)10(4)6-2;1-2/h5,7-8,10H,3,6,9H2,1-2,4H3;1-2H3/b8-5-;
InChIKeyWRIIVHGTDKXCQV-HGKIGUAWSA-N
MW235.37 g/mol
LogP3.71
Rot. Bonds4

About 1-butan-2-yl-3-ethenyl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane

1-butan-2-yl-3-ethenyl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane (PubChem CID 163271482) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-butan-2-yl-3-ethenyl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane.

Molecular Properties

Compound Name1-butan-2-yl-3-ethenyl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane
PubChem CID163271482
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-butan-2-yl-3-ethenyl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane
SMILESC=CC1=C(/C=C\C)C(=O)N(C(C)CC)C1.CC
InChIInChI=1S/C13H19NO.C2H6/c1-5-8-12-11(7-3)9-14(13(12)15)10(4)6-2;1-2/h5,7-8,10H,3,6,9H2,1-2,4H3;1-2H3/b8-5-;
InChIKeyWRIIVHGTDKXCQV-HGKIGUAWSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-ethenyl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane?
The IUPAC name of 1-butan-2-yl-3-ethenyl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane (CID 163271482) is 1-butan-2-yl-3-ethenyl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane.
What is the SMILES notation for 1-butan-2-yl-3-ethenyl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane?
The canonical SMILES for 1-butan-2-yl-3-ethenyl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane is C=CC1=C(/C=C\C)C(=O)N(C(C)CC)C1.CC.
What is the InChIKey of 1-butan-2-yl-3-ethenyl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane?
The InChIKey is WRIIVHGTDKXCQV-HGKIGUAWSA-N. The full InChI is InChI=1S/C13H19NO.C2H6/c1-5-8-12-11(7-3)9-14(13(12)15)10(4)6-2;1-2/h5,7-8,10H,3,6,9H2,1-2,4H3;1-2H3/b8-5-;.
What are the key properties of 1-butan-2-yl-3-ethenyl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane?
1-butan-2-yl-3-ethenyl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane has a molecular weight of 235.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-ethenyl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane is sourced from PubChem (CID 163271482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).