3-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,2-dihydropyrrol-5-one

C10H11NO — CID 139335071

IUPAC3-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,2-dihydropyrrol-5-one
SMILESC=C/C=C\C1=C(C=C)C(=O)NC1
InChIInChI=1S/C10H11NO/c1-3-5-6-8-7-11-10(12)9(8)4-2/h3-6H,1-2,7H2,(H,11,12)/b6-5-
InChIKeySQGJEGHUASLIKX-WAYWQWQTSA-N
MW161.20 g/mol
LogP1.34
Rot. Bonds3

About 3-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,2-dihydropyrrol-5-one

3-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,2-dihydropyrrol-5-one (PubChem CID 139335071) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,2-dihydropyrrol-5-one
PubChem CID139335071
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,2-dihydropyrrol-5-one
SMILESC=C/C=C\C1=C(C=C)C(=O)NC1
InChIInChI=1S/C10H11NO/c1-3-5-6-8-7-11-10(12)9(8)4-2/h3-6H,1-2,7H2,(H,11,12)/b6-5-
InChIKeySQGJEGHUASLIKX-WAYWQWQTSA-N
XLogP1.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,2-dihydropyrrol-5-one (CID 139335071) is 3-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,2-dihydropyrrol-5-one is C=C/C=C\C1=C(C=C)C(=O)NC1.
What is the InChIKey of 3-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,2-dihydropyrrol-5-one?
The InChIKey is SQGJEGHUASLIKX-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H11NO/c1-3-5-6-8-7-11-10(12)9(8)4-2/h3-6H,1-2,7H2,(H,11,12)/b6-5-.
What are the key properties of 3-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,2-dihydropyrrol-5-one?
3-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,2-dihydropyrrol-5-one has a molecular weight of 161.20 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 139335071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).