ethane;5-ethenyl-3,3-difluoro-1-methyl-4-prop-1-en-2-ylpyrrol-2-one

C12H17F2NO — CID 145414209

IUPACethane;5-ethenyl-3,3-difluoro-1-methyl-4-prop-1-en-2-ylpyrrol-2-one
SMILESC=CC1=C(C(=C)C)C(F)(F)C(=O)N1C.CC
InChIInChI=1S/C10H11F2NO.C2H6/c1-5-7-8(6(2)3)10(11,12)9(14)13(7)4;1-2/h5H,1-2H2,3-4H3;1-2H3
InChIKeyVEFHYZMKMAKTDZ-UHFFFAOYSA-N
MW229.27 g/mol
LogP3.14
Rot. Bonds2

About ethane;5-ethenyl-3,3-difluoro-1-methyl-4-prop-1-en-2-ylpyrrol-2-one

ethane;5-ethenyl-3,3-difluoro-1-methyl-4-prop-1-en-2-ylpyrrol-2-one (PubChem CID 145414209) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is ethane;5-ethenyl-3,3-difluoro-1-methyl-4-prop-1-en-2-ylpyrrol-2-one.

Molecular Properties

Compound Nameethane;5-ethenyl-3,3-difluoro-1-methyl-4-prop-1-en-2-ylpyrrol-2-one
PubChem CID145414209
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Nameethane;5-ethenyl-3,3-difluoro-1-methyl-4-prop-1-en-2-ylpyrrol-2-one
SMILESC=CC1=C(C(=C)C)C(F)(F)C(=O)N1C.CC
InChIInChI=1S/C10H11F2NO.C2H6/c1-5-7-8(6(2)3)10(11,12)9(14)13(7)4;1-2/h5H,1-2H2,3-4H3;1-2H3
InChIKeyVEFHYZMKMAKTDZ-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylacetamide
CID 142910900
5-[(1Z)-3-(fluoromethyl)buta-1,3-dienyl]-1,6-dimethyl-3,4-dihydropyridin-2-one
CID 143273338
N-[(4Z,6Z)-4-ethenylocta-4,6-dienyl]-2,2,2-trifluoro-N-propylacetamide
CID 143497486
ethane;5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one
CID 145414211
4,5-Bis(ethenyl)-3,3-difluoro-1-methylpyrrol-2-one
CID 145617019
1,6-Dimethyl-3-propyl-4-(trifluoromethyl)pyridin-2-one
CID 163952265
1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one
CID 102245924
N-[(3E)-4-(1-fluoroethenyl)hepta-1,3-dien-3-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 144015362
5-Ethenyl-3,3-difluoro-1-methyl-4-prop-1-en-2-ylpyrrol-2-one
CID 145414210
5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one
CID 145414212
3-ethenyl-N-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-N,4-dimethyl-2-propan-2-ylidenepent-3-enamide
CID 166126655
1-methyl-4,5-dihydro-3H-indol-2-one
CID 68074155

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-3,3-difluoro-1-methyl-4-prop-1-en-2-ylpyrrol-2-one?
The IUPAC name of ethane;5-ethenyl-3,3-difluoro-1-methyl-4-prop-1-en-2-ylpyrrol-2-one (CID 145414209) is ethane;5-ethenyl-3,3-difluoro-1-methyl-4-prop-1-en-2-ylpyrrol-2-one.
What is the SMILES notation for ethane;5-ethenyl-3,3-difluoro-1-methyl-4-prop-1-en-2-ylpyrrol-2-one?
The canonical SMILES for ethane;5-ethenyl-3,3-difluoro-1-methyl-4-prop-1-en-2-ylpyrrol-2-one is C=CC1=C(C(=C)C)C(F)(F)C(=O)N1C.CC.
What is the InChIKey of ethane;5-ethenyl-3,3-difluoro-1-methyl-4-prop-1-en-2-ylpyrrol-2-one?
The InChIKey is VEFHYZMKMAKTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO.C2H6/c1-5-7-8(6(2)3)10(11,12)9(14)13(7)4;1-2/h5H,1-2H2,3-4H3;1-2H3.
What are the key properties of ethane;5-ethenyl-3,3-difluoro-1-methyl-4-prop-1-en-2-ylpyrrol-2-one?
ethane;5-ethenyl-3,3-difluoro-1-methyl-4-prop-1-en-2-ylpyrrol-2-one has a molecular weight of 229.27 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-3,3-difluoro-1-methyl-4-prop-1-en-2-ylpyrrol-2-one is sourced from PubChem (CID 145414209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).