fluoromethane;N-methyl-2-[(3E)-2-methyl-3-[(Z)-2-methylhex-4-en-3-ylidene]-4-methylidene-5-oxopyrrolidin-1-yl]-5-oxopentanamide

C20H31FN2O3 — CID 163222697

IUPACfluoromethane;N-methyl-2-[(3E)-2-methyl-3-[(Z)-2-methylhex-4-en-3-ylidene]-4-methylidene-5-oxopyrrolidin-1-yl]-5-oxopentanamide
SMILESC=C1C(=O)N(C(CCC=O)C(=O)NC)C(C)/C1=C(/C=C\C)C(C)C.CF
InChIInChI=1S/C19H28N2O3.CH3F/c1-7-9-15(12(2)3)17-13(4)19(24)21(14(17)5)16(10-8-11-22)18(23)20-6;1-2/h7,9,11-12,14,16H,4,8,10H2,1-3,5-6H3,(H,20,23);1H3/b9-7-,17-15-;
InChIKeyWSQIFSHAKPPLHT-QFEORVJBSA-N
MW366.48 g/mol
LogP2.98
Rot. Bonds7

About fluoromethane;N-methyl-2-[(3E)-2-methyl-3-[(Z)-2-methylhex-4-en-3-ylidene]-4-methylidene-5-oxopyrrolidin-1-yl]-5-oxopentanamide

fluoromethane;N-methyl-2-[(3E)-2-methyl-3-[(Z)-2-methylhex-4-en-3-ylidene]-4-methylidene-5-oxopyrrolidin-1-yl]-5-oxopentanamide (PubChem CID 163222697) has the molecular formula C20H31FN2O3 and a molecular weight of 366.48 g/mol. Its IUPAC name is fluoromethane;N-methyl-2-[(3E)-2-methyl-3-[(Z)-2-methylhex-4-en-3-ylidene]-4-methylidene-5-oxopyrrolidin-1-yl]-5-oxopentanamide.

Molecular Properties

Compound Namefluoromethane;N-methyl-2-[(3E)-2-methyl-3-[(Z)-2-methylhex-4-en-3-ylidene]-4-methylidene-5-oxopyrrolidin-1-yl]-5-oxopentanamide
PubChem CID163222697
Molecular FormulaC20H31FN2O3
Molecular Weight366.48 g/mol
Exact Mass366.23
IUPAC Namefluoromethane;N-methyl-2-[(3E)-2-methyl-3-[(Z)-2-methylhex-4-en-3-ylidene]-4-methylidene-5-oxopyrrolidin-1-yl]-5-oxopentanamide
SMILESC=C1C(=O)N(C(CCC=O)C(=O)NC)C(C)/C1=C(/C=C\C)C(C)C.CF
InChIInChI=1S/C19H28N2O3.CH3F/c1-7-9-15(12(2)3)17-13(4)19(24)21(14(17)5)16(10-8-11-22)18(23)20-6;1-2/h7,9,11-12,14,16H,4,8,10H2,1-3,5-6H3,(H,20,23);1H3/b9-7-,17-15-;
InChIKeyWSQIFSHAKPPLHT-QFEORVJBSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-fluoro-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 67889641
4-amino-2-fluoro-N-[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]cyclohexa-1,5-diene-1-carboxamide
CID 88274952
N-(2-fluoroethyl)-1-[(E,4S)-4-[(2-formamidoacetyl)-methylamino]-2,5-dimethylhex-2-enoyl]pyrrolidine-2-carboxamide
CID 89273402
N-(2-fluoroethyl)-1-[(4S)-4-[(2-formamidoacetyl)-methylamino]-2,5-dimethylhex-2-enoyl]pyrrolidine-2-carboxamide
CID 123273850
(2E,4E)-5-fluoro-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-2-(2-oxoethyl)hepta-2,4-dienamide
CID 142368191
4-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide
CID 142615726
(2R)-N-[(5Z,7S)-1-(3,3-dimethylbutyl)-6-[(Z)-3-fluoroprop-1-enyl]-5-methyl-1-azacyclododec-5-en-7-yl]-5-oxopyrrolidine-2-carboxamide
CID 143532999
(Z,4E)-4-(2-fluoroethylidene)-3,3-dimethyl-2-(methylamino)-N-[1-[methyl-[(E)-3-methyl-4-oxobut-2-enyl]amino]-1-oxopropan-2-yl]hept-5-enamide
CID 154932378
(2E,3Z)-2-ethylidene-5-fluoro-N-formyl-3-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]hexa-3,5-dienamide
CID 155357881
(5E,7Z,9E)-10-fluoro-8-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,4-diazacyclododeca-5,7,9-triene-7-carboxamide
CID 164592611
2-(5-Fluoro-1,3-dioxo-3a,4-dihydroisoindol-2-yl)-5-oxopentanamide
CID 166993665
4-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide
CID 168902756

Frequently Asked Questions

What is the IUPAC name of fluoromethane;N-methyl-2-[(3E)-2-methyl-3-[(Z)-2-methylhex-4-en-3-ylidene]-4-methylidene-5-oxopyrrolidin-1-yl]-5-oxopentanamide?
The IUPAC name of fluoromethane;N-methyl-2-[(3E)-2-methyl-3-[(Z)-2-methylhex-4-en-3-ylidene]-4-methylidene-5-oxopyrrolidin-1-yl]-5-oxopentanamide (CID 163222697) is fluoromethane;N-methyl-2-[(3E)-2-methyl-3-[(Z)-2-methylhex-4-en-3-ylidene]-4-methylidene-5-oxopyrrolidin-1-yl]-5-oxopentanamide.
What is the SMILES notation for fluoromethane;N-methyl-2-[(3E)-2-methyl-3-[(Z)-2-methylhex-4-en-3-ylidene]-4-methylidene-5-oxopyrrolidin-1-yl]-5-oxopentanamide?
The canonical SMILES for fluoromethane;N-methyl-2-[(3E)-2-methyl-3-[(Z)-2-methylhex-4-en-3-ylidene]-4-methylidene-5-oxopyrrolidin-1-yl]-5-oxopentanamide is C=C1C(=O)N(C(CCC=O)C(=O)NC)C(C)/C1=C(/C=C\C)C(C)C.CF.
What is the InChIKey of fluoromethane;N-methyl-2-[(3E)-2-methyl-3-[(Z)-2-methylhex-4-en-3-ylidene]-4-methylidene-5-oxopyrrolidin-1-yl]-5-oxopentanamide?
The InChIKey is WSQIFSHAKPPLHT-QFEORVJBSA-N. The full InChI is InChI=1S/C19H28N2O3.CH3F/c1-7-9-15(12(2)3)17-13(4)19(24)21(14(17)5)16(10-8-11-22)18(23)20-6;1-2/h7,9,11-12,14,16H,4,8,10H2,1-3,5-6H3,(H,20,23);1H3/b9-7-,17-15-;.
What are the key properties of fluoromethane;N-methyl-2-[(3E)-2-methyl-3-[(Z)-2-methylhex-4-en-3-ylidene]-4-methylidene-5-oxopyrrolidin-1-yl]-5-oxopentanamide?
fluoromethane;N-methyl-2-[(3E)-2-methyl-3-[(Z)-2-methylhex-4-en-3-ylidene]-4-methylidene-5-oxopyrrolidin-1-yl]-5-oxopentanamide has a molecular weight of 366.48 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;N-methyl-2-[(3E)-2-methyl-3-[(Z)-2-methylhex-4-en-3-ylidene]-4-methylidene-5-oxopyrrolidin-1-yl]-5-oxopentanamide is sourced from PubChem (CID 163222697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).