1-(6-methyl-3-methylidene-4H-pyran-2-yl)pyrrolidin-2-one

C11H15NO2 — CID 101038006

IUPAC1-(6-methyl-3-methylidene-4H-pyran-2-yl)pyrrolidin-2-one
SMILESC=C1CC=C(C)OC1N1CCCC1=O
InChIInChI=1S/C11H15NO2/c1-8-5-6-9(2)14-11(8)12-7-3-4-10(12)13/h6,11H,1,3-5,7H2,2H3
InChIKeyWZUBUNVWSGGNSG-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.82
Rot. Bonds1

About 1-(6-methyl-3-methylidene-4H-pyran-2-yl)pyrrolidin-2-one

1-(6-methyl-3-methylidene-4H-pyran-2-yl)pyrrolidin-2-one (PubChem CID 101038006) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(6-methyl-3-methylidene-4H-pyran-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-methyl-3-methylidene-4H-pyran-2-yl)pyrrolidin-2-one
PubChem CID101038006
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(6-methyl-3-methylidene-4H-pyran-2-yl)pyrrolidin-2-one
SMILESC=C1CC=C(C)OC1N1CCCC1=O
InChIInChI=1S/C11H15NO2/c1-8-5-6-9(2)14-11(8)12-7-3-4-10(12)13/h6,11H,1,3-5,7H2,2H3
InChIKeyWZUBUNVWSGGNSG-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.82
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

1-[(2S)-4,4-dimethyl-5-oxooxolan-2-yl]pyrrolidin-2-one
CID 155935570
1-cyclodecylpyrrolidin-2-one
CID 138507623
1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one
CID 130233518
azane;1-cyclohexylpyrrolidin-2-one
CID 172723863
2-trimethylsilyl-4,7,8,8a-tetrahydropyrrolo[2,1-b][1,3]oxazin-6-one
CID 10330796
1-[1,1-dioxo-4-(2-oxopyrrolidin-1-yl)thiolan-3-yl]pyrrolidin-2-one
CID 21204377
2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11789283
(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11051727
1-(cyclopropen-1-yl)pyrrolidin-2-one
CID 147715562
1-methylpyrrolidin-2-one;oxetane
CID 170438379
4-(2-oxopyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid
CID 79208618
1-[(1S,2S,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]pyrrolidin-2-one
CID 122202809

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-methylidene-4H-pyran-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(6-methyl-3-methylidene-4H-pyran-2-yl)pyrrolidin-2-one (CID 101038006) is 1-(6-methyl-3-methylidene-4H-pyran-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(6-methyl-3-methylidene-4H-pyran-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(6-methyl-3-methylidene-4H-pyran-2-yl)pyrrolidin-2-one is C=C1CC=C(C)OC1N1CCCC1=O.
What is the InChIKey of 1-(6-methyl-3-methylidene-4H-pyran-2-yl)pyrrolidin-2-one?
The InChIKey is WZUBUNVWSGGNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-5-6-9(2)14-11(8)12-7-3-4-10(12)13/h6,11H,1,3-5,7H2,2H3.
What are the key properties of 1-(6-methyl-3-methylidene-4H-pyran-2-yl)pyrrolidin-2-one?
1-(6-methyl-3-methylidene-4H-pyran-2-yl)pyrrolidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-methylidene-4H-pyran-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 101038006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).