3-ethenyl-4-[(Z)-prop-1-enyl]-1-propyl-2H-pyrrol-5-one

C12H17NO — CID 143358897

IUPAC3-ethenyl-4-[(Z)-prop-1-enyl]-1-propyl-2H-pyrrol-5-one
SMILESC=CC1=C(/C=C\C)C(=O)N(CCC)C1
InChIInChI=1S/C12H17NO/c1-4-7-11-10(6-3)9-13(8-5-2)12(11)14/h4,6-7H,3,5,8-9H2,1-2H3/b7-4-
InChIKeyHDKLIMCHMUPAAI-DAXSKMNVSA-N
MW191.27 g/mol
LogP2.30
Rot. Bonds4

About 3-ethenyl-4-[(Z)-prop-1-enyl]-1-propyl-2H-pyrrol-5-one

3-ethenyl-4-[(Z)-prop-1-enyl]-1-propyl-2H-pyrrol-5-one (PubChem CID 143358897) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-ethenyl-4-[(Z)-prop-1-enyl]-1-propyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-ethenyl-4-[(Z)-prop-1-enyl]-1-propyl-2H-pyrrol-5-one
PubChem CID143358897
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-ethenyl-4-[(Z)-prop-1-enyl]-1-propyl-2H-pyrrol-5-one
SMILESC=CC1=C(/C=C\C)C(=O)N(CCC)C1
InChIInChI=1S/C12H17NO/c1-4-7-11-10(6-3)9-13(8-5-2)12(11)14/h4,6-7H,3,5,8-9H2,1-2H3/b7-4-
InChIKeyHDKLIMCHMUPAAI-DAXSKMNVSA-N
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-[(Z)-prop-1-enyl]-1-propyl-2H-pyrrol-5-one?
The IUPAC name of 3-ethenyl-4-[(Z)-prop-1-enyl]-1-propyl-2H-pyrrol-5-one (CID 143358897) is 3-ethenyl-4-[(Z)-prop-1-enyl]-1-propyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-ethenyl-4-[(Z)-prop-1-enyl]-1-propyl-2H-pyrrol-5-one?
The canonical SMILES for 3-ethenyl-4-[(Z)-prop-1-enyl]-1-propyl-2H-pyrrol-5-one is C=CC1=C(/C=C\C)C(=O)N(CCC)C1.
What is the InChIKey of 3-ethenyl-4-[(Z)-prop-1-enyl]-1-propyl-2H-pyrrol-5-one?
The InChIKey is HDKLIMCHMUPAAI-DAXSKMNVSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-7-11-10(6-3)9-13(8-5-2)12(11)14/h4,6-7H,3,5,8-9H2,1-2H3/b7-4-.
What are the key properties of 3-ethenyl-4-[(Z)-prop-1-enyl]-1-propyl-2H-pyrrol-5-one?
3-ethenyl-4-[(Z)-prop-1-enyl]-1-propyl-2H-pyrrol-5-one has a molecular weight of 191.27 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-[(Z)-prop-1-enyl]-1-propyl-2H-pyrrol-5-one is sourced from PubChem (CID 143358897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).