ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one

C11H17NO — CID 145152777

IUPACethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one
SMILESC=C/C=C1/CNC(=O)/C1=C/C.CC
InChIInChI=1S/C9H11NO.C2H6/c1-3-5-7-6-10-9(11)8(7)4-2;1-2/h3-5H,1,6H2,2H3,(H,10,11);1-2H3/b7-5-,8-4+;
InChIKeyNMBHXYFGVICKFS-HTQNWGDESA-N
MW179.26 g/mol
LogP2.20
Rot. Bonds1

About ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one

ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one (PubChem CID 145152777) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one.

Molecular Properties

Compound Nameethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one
PubChem CID145152777
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Nameethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one
SMILESC=C/C=C1/CNC(=O)/C1=C/C.CC
InChIInChI=1S/C9H11NO.C2H6/c1-3-5-7-6-10-9(11)8(7)4-2;1-2/h3-5H,1,6H2,2H3,(H,10,11);1-2H3/b7-5-,8-4+;
InChIKeyNMBHXYFGVICKFS-HTQNWGDESA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.20
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

(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidin-2-one;propane
CID 167479014
(3E,4E)-3-ethylidene-4-propylidenepyrrolidin-2-one
CID 170059513
3-ethylideneazetidin-2-one
CID 71337258
ethane;(3E,4E)-3-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one
CID 171627448
ethane;(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidine
CID 143519935
ethane;(4E,5Z)-4-ethylidene-3-oxo-5-prop-2-enylidenecyclohexane-1-carboxylic acid;methane
CID 144582200
(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidine
CID 135293785
(5Z,6E)-5-ethylidene-3,3-dimethyl-6-prop-2-enylideneazepane-2,7-dione
CID 146429611
ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylideneoxan-2-one
CID 143243807
ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecycloheptane
CID 143924638
(4E,5E)-4-ethylidene-5-prop-2-enylidenethiazinane
CID 130412005
(3E,4Z)-3-ethylidene-1-methyl-4-prop-2-enylidenepiperidine
CID 89468901

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one?
The IUPAC name of ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one (CID 145152777) is ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one.
What is the SMILES notation for ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one?
The canonical SMILES for ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one is C=C/C=C1/CNC(=O)/C1=C/C.CC.
What is the InChIKey of ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one?
The InChIKey is NMBHXYFGVICKFS-HTQNWGDESA-N. The full InChI is InChI=1S/C9H11NO.C2H6/c1-3-5-7-6-10-9(11)8(7)4-2;1-2/h3-5H,1,6H2,2H3,(H,10,11);1-2H3/b7-5-,8-4+;.
What are the key properties of ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one?
ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one is sourced from PubChem (CID 145152777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).