ethane;4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one

C12H22N2O — CID 164865273

IUPACethane;4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one
SMILESC=C/C=N/C1=C(C)C(=O)NC1.CC.CC
InChIInChI=1S/C8H10N2O.2C2H6/c1-3-4-9-7-5-10-8(11)6(7)2;2*1-2/h3-4H,1,5H2,2H3,(H,10,11);2*1-2H3/b9-4+;;
InChIKeyZYBARDZICYYMIS-HPJBNNNXSA-N
MW210.32 g/mol
LogP2.70
Rot. Bonds2

About ethane;4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one

ethane;4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one (PubChem CID 164865273) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is ethane;4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Nameethane;4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one
PubChem CID164865273
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Nameethane;4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one
SMILESC=C/C=N/C1=C(C)C(=O)NC1.CC.CC
InChIInChI=1S/C8H10N2O.2C2H6/c1-3-4-9-7-5-10-8(11)6(7)2;2*1-2/h3-4H,1,5H2,2H3,(H,10,11);2*1-2H3/b9-4+;;
InChIKeyZYBARDZICYYMIS-HPJBNNNXSA-N
XLogP2.70
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylcyclopenten-1-yl)prop-2-en-1-imine
CID 177053862
ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one
CID 145152777
aziridin-2-one;formaldehyde
CID 19936529
3-ethylideneazetidin-2-one
CID 71337258
aziridin-2-one
CID 158991665
ethane;methylphosphane;(Z)-N-(3-methyl-1H-pyrrol-2-yl)prop-2-en-1-imine
CID 144832505
(4Z)-4-(4,4-dimethylpent-1-en-3-ylidene)-3-methylidenepyrrolidin-2-one
CID 170574862
4,5,6,7-tetramethyl-2,3-dihydroisoindol-1-one
CID 21365387
ethane;(Z)-N-(3-methyl-1H-pyrrol-2-yl)prop-2-en-1-imine;propane
CID 144842549
(3E)-3-butylideneazetidin-2-one
CID 55298756
ethane;2-methyl-5,6-dihydrothieno[2,3-c]pyrrol-4-one
CID 91367756
ethane;(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyrrolidin-2-one
CID 143806884

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one?
The IUPAC name of ethane;4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one (CID 164865273) is ethane;4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for ethane;4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one?
The canonical SMILES for ethane;4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one is C=C/C=N/C1=C(C)C(=O)NC1.CC.CC.
What is the InChIKey of ethane;4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one?
The InChIKey is ZYBARDZICYYMIS-HPJBNNNXSA-N. The full InChI is InChI=1S/C8H10N2O.2C2H6/c1-3-4-9-7-5-10-8(11)6(7)2;2*1-2/h3-4H,1,5H2,2H3,(H,10,11);2*1-2H3/b9-4+;;.
What are the key properties of ethane;4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one?
ethane;4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one has a molecular weight of 210.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 164865273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).