5,5-dimethyl-3-phenoxy-1-prop-2-enylpyrrol-2-one

C15H17NO2 — CID 11368520

IUPAC5,5-dimethyl-3-phenoxy-1-prop-2-enylpyrrol-2-one
SMILESC=CCN1C(=O)C(Oc2ccccc2)=CC1(C)C
InChIInChI=1S/C15H17NO2/c1-4-10-16-14(17)13(11-15(16,2)3)18-12-8-6-5-7-9-12/h4-9,11H,1,10H2,2-3H3
InChIKeyUYHJYDONOPCLDN-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.76
Rot. Bonds4

About 5,5-dimethyl-3-phenoxy-1-prop-2-enylpyrrol-2-one

5,5-dimethyl-3-phenoxy-1-prop-2-enylpyrrol-2-one (PubChem CID 11368520) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5,5-dimethyl-3-phenoxy-1-prop-2-enylpyrrol-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-phenoxy-1-prop-2-enylpyrrol-2-one
PubChem CID11368520
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name5,5-dimethyl-3-phenoxy-1-prop-2-enylpyrrol-2-one
SMILESC=CCN1C(=O)C(Oc2ccccc2)=CC1(C)C
InChIInChI=1S/C15H17NO2/c1-4-10-16-14(17)13(11-15(16,2)3)18-12-8-6-5-7-9-12/h4-9,11H,1,10H2,2-3H3
InChIKeyUYHJYDONOPCLDN-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 910270
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CID 728964
1-(Morpholin-4-yl)-2-phenoxyethan-1-one
CID 575101
Morpholine, 4-((4-methoxyphenoxy)acetyl)-
CID 809046
4-[(4-Ethoxyphenoxy)acetyl]morpholine
CID 732607
N-Methyl-N-(2-methyl-1-pyrrolidin-1-ylmethyl-propyl)-2-phenoxy-acetamide
CID 44337482
N-cyclohexyl-N-ethyl-2-phenoxyacetamide
CID 670248
Pyrrolidine, 1-((4-methoxyphenoxy)acetyl)-
CID 303142
Acetohydroxamic acid, N,O-diethyl-2-phenoxy-
CID 56279
N-(2-methylpropyl)-2-phenoxyacetamide
CID 879323
N-Ethyl-N-(2-phenoxyethyl)-acetamide
CID 24049
Aziridine, 1-(phenoxyacetyl)-
CID 3053844

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-phenoxy-1-prop-2-enylpyrrol-2-one?
The IUPAC name of 5,5-dimethyl-3-phenoxy-1-prop-2-enylpyrrol-2-one (CID 11368520) is 5,5-dimethyl-3-phenoxy-1-prop-2-enylpyrrol-2-one.
What is the SMILES notation for 5,5-dimethyl-3-phenoxy-1-prop-2-enylpyrrol-2-one?
The canonical SMILES for 5,5-dimethyl-3-phenoxy-1-prop-2-enylpyrrol-2-one is C=CCN1C(=O)C(Oc2ccccc2)=CC1(C)C.
What is the InChIKey of 5,5-dimethyl-3-phenoxy-1-prop-2-enylpyrrol-2-one?
The InChIKey is UYHJYDONOPCLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-4-10-16-14(17)13(11-15(16,2)3)18-12-8-6-5-7-9-12/h4-9,11H,1,10H2,2-3H3.
What are the key properties of 5,5-dimethyl-3-phenoxy-1-prop-2-enylpyrrol-2-one?
5,5-dimethyl-3-phenoxy-1-prop-2-enylpyrrol-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-phenoxy-1-prop-2-enylpyrrol-2-one is sourced from PubChem (CID 11368520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).