2-[(3E,4E)-3-ethylidene-4-(4-methylpent-1-en-3-ylidene)-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide;fluoromethane

C19H27FN2O4 — CID 163222646

IUPAC2-[(3E,4E)-3-ethylidene-4-(4-methylpent-1-en-3-ylidene)-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide;fluoromethane
SMILESC=C/C(=C1/C(=O)N(C(CCC=O)C(=O)NC)C(=O)/C1=C/C)C(C)C.CF
InChIInChI=1S/C18H24N2O4.CH3F/c1-6-12(11(3)4)15-13(7-2)17(23)20(18(15)24)14(9-8-10-21)16(22)19-5;1-2/h6-7,10-11,14H,1,8-9H2,2-5H3,(H,19,22);1H3/b13-7+,15-12-;
InChIKeyRXBMEHQRGDLJQI-AWAYLOJGSA-N
MW366.43 g/mol
LogP2.12
Rot. Bonds7

About 2-[(3E,4E)-3-ethylidene-4-(4-methylpent-1-en-3-ylidene)-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide;fluoromethane

2-[(3E,4E)-3-ethylidene-4-(4-methylpent-1-en-3-ylidene)-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide;fluoromethane (PubChem CID 163222646) has the molecular formula C19H27FN2O4 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-[(3E,4E)-3-ethylidene-4-(4-methylpent-1-en-3-ylidene)-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide;fluoromethane.

Molecular Properties

Compound Name2-[(3E,4E)-3-ethylidene-4-(4-methylpent-1-en-3-ylidene)-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide;fluoromethane
PubChem CID163222646
Molecular FormulaC19H27FN2O4
Molecular Weight366.43 g/mol
Exact Mass366.20
IUPAC Name2-[(3E,4E)-3-ethylidene-4-(4-methylpent-1-en-3-ylidene)-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide;fluoromethane
SMILESC=C/C(=C1/C(=O)N(C(CCC=O)C(=O)NC)C(=O)/C1=C/C)C(C)C.CF
InChIInChI=1S/C18H24N2O4.CH3F/c1-6-12(11(3)4)15-13(7-2)17(23)20(18(15)24)14(9-8-10-21)16(22)19-5;1-2/h6-7,10-11,14H,1,8-9H2,2-5H3,(H,19,22);1H3/b13-7+,15-12-;
InChIKeyRXBMEHQRGDLJQI-AWAYLOJGSA-N
XLogP2.12
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(3E,4E)-4-ethylidene-2-oxo-3-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide
CID 170049159
2-(5-tert-butyl-6-fluoro-1,3-dioxoisoindol-2-yl)-N-methyl-5-oxopentanamide
CID 155358154
2-[1,3-dioxo-6-(2-oxoethyl)-5,7-dihydropyrrolo[3,4-f]isoindol-2-yl]-N-methyl-5-oxopentanamide;methanol
CID 164924001
8-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]oxyoctanoic acid;2-methylpropane
CID 171566867
N,2-dimethyl-5-oxopentanamide
CID 20693317
2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide
CID 146273965
N-methyl-2-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)-5-oxopentanamide
CID 155574497
2-[5-(aminomethyl)-4-fluoro-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 176717984
2-[(3E,4Z)-3-[(Z)-but-2-enylidene]-4-[[(2-fluoro-3-formylphenyl)methylamino]methylidene]-2-oxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide
CID 145070308
N-methyl-2-(3-oxopropyl)pent-4-enamide
CID 142360160
2-[1,3-dioxo-4-[2-(2-propoxyethoxy)ethylamino]isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 155484544
8-[4-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]octyl hypofluorite
CID 134581873

Frequently Asked Questions

What is the IUPAC name of 2-[(3E,4E)-3-ethylidene-4-(4-methylpent-1-en-3-ylidene)-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide;fluoromethane?
The IUPAC name of 2-[(3E,4E)-3-ethylidene-4-(4-methylpent-1-en-3-ylidene)-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide;fluoromethane (CID 163222646) is 2-[(3E,4E)-3-ethylidene-4-(4-methylpent-1-en-3-ylidene)-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide;fluoromethane.
What is the SMILES notation for 2-[(3E,4E)-3-ethylidene-4-(4-methylpent-1-en-3-ylidene)-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide;fluoromethane?
The canonical SMILES for 2-[(3E,4E)-3-ethylidene-4-(4-methylpent-1-en-3-ylidene)-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide;fluoromethane is C=C/C(=C1/C(=O)N(C(CCC=O)C(=O)NC)C(=O)/C1=C/C)C(C)C.CF.
What is the InChIKey of 2-[(3E,4E)-3-ethylidene-4-(4-methylpent-1-en-3-ylidene)-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide;fluoromethane?
The InChIKey is RXBMEHQRGDLJQI-AWAYLOJGSA-N. The full InChI is InChI=1S/C18H24N2O4.CH3F/c1-6-12(11(3)4)15-13(7-2)17(23)20(18(15)24)14(9-8-10-21)16(22)19-5;1-2/h6-7,10-11,14H,1,8-9H2,2-5H3,(H,19,22);1H3/b13-7+,15-12-;.
What are the key properties of 2-[(3E,4E)-3-ethylidene-4-(4-methylpent-1-en-3-ylidene)-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide;fluoromethane?
2-[(3E,4E)-3-ethylidene-4-(4-methylpent-1-en-3-ylidene)-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide;fluoromethane has a molecular weight of 366.43 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,4E)-3-ethylidene-4-(4-methylpent-1-en-3-ylidene)-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide;fluoromethane is sourced from PubChem (CID 163222646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).