4-ethenyl-3-[(1Z,3E)-5-methylhexa-1,3-dienyl]-1-propan-2-yl-2H-pyrrol-5-one

C16H23NO — CID 166707211

IUPAC4-ethenyl-3-[(1Z,3E)-5-methylhexa-1,3-dienyl]-1-propan-2-yl-2H-pyrrol-5-one
SMILESC=CC1=C(/C=C\C=C\C(C)C)CN(C(C)C)C1=O
InChIInChI=1S/C16H23NO/c1-6-15-14(10-8-7-9-12(2)3)11-17(13(4)5)16(15)18/h6-10,12-13H,1,11H2,2-5H3/b9-7+,10-8-
InChIKeyVNYDJMJUFWXQPC-ZWOQCJTASA-N
MW245.37 g/mol
LogP3.49
Rot. Bonds5

About 4-ethenyl-3-[(1Z,3E)-5-methylhexa-1,3-dienyl]-1-propan-2-yl-2H-pyrrol-5-one

4-ethenyl-3-[(1Z,3E)-5-methylhexa-1,3-dienyl]-1-propan-2-yl-2H-pyrrol-5-one (PubChem CID 166707211) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-ethenyl-3-[(1Z,3E)-5-methylhexa-1,3-dienyl]-1-propan-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-ethenyl-3-[(1Z,3E)-5-methylhexa-1,3-dienyl]-1-propan-2-yl-2H-pyrrol-5-one
PubChem CID166707211
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-ethenyl-3-[(1Z,3E)-5-methylhexa-1,3-dienyl]-1-propan-2-yl-2H-pyrrol-5-one
SMILESC=CC1=C(/C=C\C=C\C(C)C)CN(C(C)C)C1=O
InChIInChI=1S/C16H23NO/c1-6-15-14(10-8-7-9-12(2)3)11-17(13(4)5)16(15)18/h6-10,12-13H,1,11H2,2-5H3/b9-7+,10-8-
InChIKeyVNYDJMJUFWXQPC-ZWOQCJTASA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-5,9-dimethyl-N,N-di(propan-2-yl)deca-2,4,8-trienamide
CID 44561471
1-ethyl-2,4-dimethyl-2H-pyrrol-5-one
CID 13331587
(Z)-N-tert-butyl-2-fluoro-3-[1-(2-fluoro-2-methylpropanoyl)-2,5-dihydropyrrol-3-yl]-N-prop-2-enylprop-2-enamide
CID 166896617
3-[(2E,4E,6Z)-5-(2-fluoropropan-2-yl)octa-2,4,6-trien-2-yl]-1,4-dimethyl-2H-pyrrol-5-one
CID 169897060
copper(1+);N,N-diethyl-4-methylbenzene-6-ide-1-carboxamide
CID 134858453
4-[(1E)-2-fluorobuta-1,3-dienyl]-1,3-dimethyl-2H-pyrrol-5-one
CID 142390331
(E)-4-methyl-N,N-di(propan-2-yl)pent-2-enamide
CID 21135746
2H-Pyrrol-2-one, 1,5-dihydro-1,4,5-trimethyl-
CID 45087240
2-ethyl-1,4-dimethyl-2H-pyrrol-5-one
CID 53984613
(5E)-5-(2-methylpropylidene)-1,2-di(propan-2-yl)-2H-pyridin-6-one
CID 57579844
2-Propan-2-yl-1,4-dihydrocyclopenta[c]pyrrol-3-one
CID 57698664
2-Propan-2-yl-1,6-dihydrocyclopenta[c]pyrrol-3-one
CID 57698671

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-[(1Z,3E)-5-methylhexa-1,3-dienyl]-1-propan-2-yl-2H-pyrrol-5-one?
The IUPAC name of 4-ethenyl-3-[(1Z,3E)-5-methylhexa-1,3-dienyl]-1-propan-2-yl-2H-pyrrol-5-one (CID 166707211) is 4-ethenyl-3-[(1Z,3E)-5-methylhexa-1,3-dienyl]-1-propan-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 4-ethenyl-3-[(1Z,3E)-5-methylhexa-1,3-dienyl]-1-propan-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 4-ethenyl-3-[(1Z,3E)-5-methylhexa-1,3-dienyl]-1-propan-2-yl-2H-pyrrol-5-one is C=CC1=C(/C=C\C=C\C(C)C)CN(C(C)C)C1=O.
What is the InChIKey of 4-ethenyl-3-[(1Z,3E)-5-methylhexa-1,3-dienyl]-1-propan-2-yl-2H-pyrrol-5-one?
The InChIKey is VNYDJMJUFWXQPC-ZWOQCJTASA-N. The full InChI is InChI=1S/C16H23NO/c1-6-15-14(10-8-7-9-12(2)3)11-17(13(4)5)16(15)18/h6-10,12-13H,1,11H2,2-5H3/b9-7+,10-8-.
What are the key properties of 4-ethenyl-3-[(1Z,3E)-5-methylhexa-1,3-dienyl]-1-propan-2-yl-2H-pyrrol-5-one?
4-ethenyl-3-[(1Z,3E)-5-methylhexa-1,3-dienyl]-1-propan-2-yl-2H-pyrrol-5-one has a molecular weight of 245.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-[(1Z,3E)-5-methylhexa-1,3-dienyl]-1-propan-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 166707211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).