ethane;(4Z,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one

C12H19NO — CID 143818774

IUPACethane;(4Z,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one
SMILESC=C/C=C1/CC(=O)N(C)/C1=C/C.CC
InChIInChI=1S/C10H13NO.C2H6/c1-4-6-8-7-10(12)11(3)9(8)5-2;1-2/h4-6H,1,7H2,2-3H3;1-2H3/b8-6-,9-5+;
InChIKeyZXTNOWWDBDIRNE-MWGMOTBOSA-N
MW193.29 g/mol
LogP2.89
Rot. Bonds1

About ethane;(4Z,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one

ethane;(4Z,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one (PubChem CID 143818774) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is ethane;(4Z,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one.

Molecular Properties

Compound Nameethane;(4Z,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one
PubChem CID143818774
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Nameethane;(4Z,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one
SMILESC=C/C=C1/CC(=O)N(C)/C1=C/C.CC
InChIInChI=1S/C10H13NO.C2H6/c1-4-6-8-7-10(12)11(3)9(8)5-2;1-2/h4-6H,1,7H2,2-3H3;1-2H3/b8-6-,9-5+;
InChIKeyZXTNOWWDBDIRNE-MWGMOTBOSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;(4Z,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one?
The IUPAC name of ethane;(4Z,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one (CID 143818774) is ethane;(4Z,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one.
What is the SMILES notation for ethane;(4Z,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one?
The canonical SMILES for ethane;(4Z,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one is C=C/C=C1/CC(=O)N(C)/C1=C/C.CC.
What is the InChIKey of ethane;(4Z,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one?
The InChIKey is ZXTNOWWDBDIRNE-MWGMOTBOSA-N. The full InChI is InChI=1S/C10H13NO.C2H6/c1-4-6-8-7-10(12)11(3)9(8)5-2;1-2/h4-6H,1,7H2,2-3H3;1-2H3/b8-6-,9-5+;.
What are the key properties of ethane;(4Z,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one?
ethane;(4Z,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one is sourced from PubChem (CID 143818774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).