ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-one

C13H23NO — CID 144962207

IUPACethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-one
SMILESC=CC1=C(/C=C\C)C(=O)CN1.CC.CC
InChIInChI=1S/C9H11NO.2C2H6/c1-3-5-7-8(4-2)10-6-9(7)11;2*1-2/h3-5,10H,2,6H2,1H3;2*1-2H3/b5-3-;;
InChIKeyVNVJYOOGNIPFJK-ORIPCLHRSA-N
MW209.33 g/mol
LogP3.23
Rot. Bonds2

About ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-one

ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-one (PubChem CID 144962207) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-one.

Molecular Properties

Compound Nameethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-one
PubChem CID144962207
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Nameethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-one
SMILESC=CC1=C(/C=C\C)C(=O)CN1.CC.CC
InChIInChI=1S/C9H11NO.2C2H6/c1-3-5-7-8(4-2)10-6-9(7)11;2*1-2/h3-5,10H,2,6H2,1H3;2*1-2H3/b5-3-;;
InChIKeyVNVJYOOGNIPFJK-ORIPCLHRSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-one?
The IUPAC name of ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-one (CID 144962207) is ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-one.
What is the SMILES notation for ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-one?
The canonical SMILES for ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-one is C=CC1=C(/C=C\C)C(=O)CN1.CC.CC.
What is the InChIKey of ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-one?
The InChIKey is VNVJYOOGNIPFJK-ORIPCLHRSA-N. The full InChI is InChI=1S/C9H11NO.2C2H6/c1-3-5-7-8(4-2)10-6-9(7)11;2*1-2/h3-5,10H,2,6H2,1H3;2*1-2H3/b5-3-;;.
What are the key properties of ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-one?
ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-one has a molecular weight of 209.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-3-one is sourced from PubChem (CID 144962207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).