(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyrrolidin-2-one

C9H11NO — CID 143806885

IUPAC(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyrrolidin-2-one
SMILESC=C(C)/C=C1\C(=C)CNC1=O
InChIInChI=1S/C9H11NO/c1-6(2)4-8-7(3)5-10-9(8)11/h4H,1,3,5H2,2H3,(H,10,11)/b8-4+
InChIKeyMMDIXKWMNZTORI-XBXARRHUSA-N
MW149.19 g/mol
LogP1.17
Rot. Bonds1

About (3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyrrolidin-2-one

(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyrrolidin-2-one (PubChem CID 143806885) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyrrolidin-2-one.

Molecular Properties

Compound Name(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyrrolidin-2-one
PubChem CID143806885
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyrrolidin-2-one
SMILESC=C(C)/C=C1\C(=C)CNC1=O
InChIInChI=1S/C9H11NO/c1-6(2)4-8-7(3)5-10-9(8)11/h4H,1,3,5H2,2H3,(H,10,11)/b8-4+
InChIKeyMMDIXKWMNZTORI-XBXARRHUSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyrrolidin-2-one
CID 143806884
2-(2-methylprop-2-enylidene)imidazolidine
CID 155044055
4-(2-methylprop-2-enylidene)-1H-imidazol-5-one
CID 137208175
ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine
CID 143256828
(3E,4E)-3-ethylidene-4-propylidenepyrrolidin-2-one
CID 170059513
aziridin-2-one;formaldehyde
CID 19936529
ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one
CID 145152777
1,1,2,2-tetramethyl-3-(2-methylprop-2-enylidene)cyclopropane
CID 121221228
3-ethylideneazetidin-2-one
CID 71337258
aziridin-2-one
CID 158991665
(4Z)-4-(4,4-dimethylpent-1-en-3-ylidene)-3-methylidenepyrrolidin-2-one
CID 170574862
5-(2-methylprop-2-enylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 90747851

Frequently Asked Questions

What is the IUPAC name of (3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyrrolidin-2-one?
The IUPAC name of (3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyrrolidin-2-one (CID 143806885) is (3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyrrolidin-2-one.
What is the SMILES notation for (3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyrrolidin-2-one?
The canonical SMILES for (3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyrrolidin-2-one is C=C(C)/C=C1\C(=C)CNC1=O.
What is the InChIKey of (3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyrrolidin-2-one?
The InChIKey is MMDIXKWMNZTORI-XBXARRHUSA-N. The full InChI is InChI=1S/C9H11NO/c1-6(2)4-8-7(3)5-10-9(8)11/h4H,1,3,5H2,2H3,(H,10,11)/b8-4+.
What are the key properties of (3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyrrolidin-2-one?
(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyrrolidin-2-one has a molecular weight of 149.19 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyrrolidin-2-one is sourced from PubChem (CID 143806885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).