6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexanoyl fluoride

C12H18FNO2 — CID 145099496

IUPAC6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexanoyl fluoride
SMILESC=C1CC(C)C(=O)N1CCCCCC(=O)F
InChIInChI=1S/C12H18FNO2/c1-9-8-10(2)14(12(9)16)7-5-3-4-6-11(13)15/h9H,2-8H2,1H3
InChIKeyGDYISGYGRYMFEK-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.42
Rot. Bonds6

About 6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexanoyl fluoride

6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexanoyl fluoride (PubChem CID 145099496) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexanoyl fluoride.

Molecular Properties

Compound Name6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexanoyl fluoride
PubChem CID145099496
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexanoyl fluoride
SMILESC=C1CC(C)C(=O)N1CCCCCC(=O)F
InChIInChI=1S/C12H18FNO2/c1-9-8-10(2)14(12(9)16)7-5-3-4-6-11(13)15/h9H,2-8H2,1H3
InChIKeyGDYISGYGRYMFEK-UHFFFAOYSA-N
XLogP2.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-5-methylidene-3-(1,2,2-trifluoropropyl)pyrrolidin-2-one
CID 166916743
2-(2-Amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one
CID 142070789
1,3-Diethyl-5-methylidenepyrrolidin-2-one
CID 58975945
1,4-Diethyl-5-methylidenepyrrolidin-2-one
CID 59801864
1-Cyclohexyl-3,4-dimethyl-5-methylidenepyrrolidin-2-one
CID 117980006
1-(3-Methylbutan-2-yl)-5-methylidenepyrrolidin-2-one
CID 122537452
N-ethyl-3-(3-ethyl-5-methylidene-2-oxopyrrolidin-1-yl)-N-methylpropanamide
CID 126552128
5-(Dimethylamino)-2-ethyl-4-methyl-1-pyrrolidin-1-ylhex-5-en-1-one
CID 132100522
3-Methyl-1-(3-methylbut-3-enyl)-5-methylidenepyrrolidin-2-one
CID 135129347
1-Methyl-5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one
CID 135296431
(3R)-1-ethyl-5-methylidene-3-pentan-3-ylpyrrolidin-2-one
CID 139455843
4-Methyl-1-(6-methylhept-6-enyl)-5-methylidenepyrrolidin-2-one
CID 139566624

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexanoyl fluoride?
The IUPAC name of 6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexanoyl fluoride (CID 145099496) is 6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexanoyl fluoride.
What is the SMILES notation for 6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexanoyl fluoride?
The canonical SMILES for 6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexanoyl fluoride is C=C1CC(C)C(=O)N1CCCCCC(=O)F.
What is the InChIKey of 6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexanoyl fluoride?
The InChIKey is GDYISGYGRYMFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-9-8-10(2)14(12(9)16)7-5-3-4-6-11(13)15/h9H,2-8H2,1H3.
What are the key properties of 6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexanoyl fluoride?
6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexanoyl fluoride has a molecular weight of 227.28 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexanoyl fluoride is sourced from PubChem (CID 145099496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).