4-ethenyl-3-[(Z)-4-methylpent-2-en-3-yl]-1,2-dihydropyrrol-5-one

C12H17NO — CID 164907140

IUPAC4-ethenyl-3-[(Z)-4-methylpent-2-en-3-yl]-1,2-dihydropyrrol-5-one
SMILESC=CC1=C(/C(=C\C)C(C)C)CNC1=O
InChIInChI=1S/C12H17NO/c1-5-9(8(3)4)11-7-13-12(14)10(11)6-2/h5-6,8H,2,7H2,1,3-4H3,(H,13,14)/b9-5-
InChIKeyPKTVNDBHQWTOAV-UITAMQMPSA-N
MW191.27 g/mol
LogP2.20
Rot. Bonds3

About 4-ethenyl-3-[(Z)-4-methylpent-2-en-3-yl]-1,2-dihydropyrrol-5-one

4-ethenyl-3-[(Z)-4-methylpent-2-en-3-yl]-1,2-dihydropyrrol-5-one (PubChem CID 164907140) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-ethenyl-3-[(Z)-4-methylpent-2-en-3-yl]-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-ethenyl-3-[(Z)-4-methylpent-2-en-3-yl]-1,2-dihydropyrrol-5-one
PubChem CID164907140
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-ethenyl-3-[(Z)-4-methylpent-2-en-3-yl]-1,2-dihydropyrrol-5-one
SMILESC=CC1=C(/C(=C\C)C(C)C)CNC1=O
InChIInChI=1S/C12H17NO/c1-5-9(8(3)4)11-7-13-12(14)10(11)6-2/h5-6,8H,2,7H2,1,3-4H3,(H,13,14)/b9-5-
InChIKeyPKTVNDBHQWTOAV-UITAMQMPSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-[(Z)-4-methylpent-2-en-3-yl]-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-ethenyl-3-[(Z)-4-methylpent-2-en-3-yl]-1,2-dihydropyrrol-5-one (CID 164907140) is 4-ethenyl-3-[(Z)-4-methylpent-2-en-3-yl]-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-ethenyl-3-[(Z)-4-methylpent-2-en-3-yl]-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-ethenyl-3-[(Z)-4-methylpent-2-en-3-yl]-1,2-dihydropyrrol-5-one is C=CC1=C(/C(=C\C)C(C)C)CNC1=O.
What is the InChIKey of 4-ethenyl-3-[(Z)-4-methylpent-2-en-3-yl]-1,2-dihydropyrrol-5-one?
The InChIKey is PKTVNDBHQWTOAV-UITAMQMPSA-N. The full InChI is InChI=1S/C12H17NO/c1-5-9(8(3)4)11-7-13-12(14)10(11)6-2/h5-6,8H,2,7H2,1,3-4H3,(H,13,14)/b9-5-.
What are the key properties of 4-ethenyl-3-[(Z)-4-methylpent-2-en-3-yl]-1,2-dihydropyrrol-5-one?
4-ethenyl-3-[(Z)-4-methylpent-2-en-3-yl]-1,2-dihydropyrrol-5-one has a molecular weight of 191.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-[(Z)-4-methylpent-2-en-3-yl]-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 164907140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).