(4Z,5E)-4-(2-methylpropylidene)-5-prop-2-enylidenepyrrolidin-2-one

C11H15NO — CID 88560661

IUPAC(4Z,5E)-4-(2-methylpropylidene)-5-prop-2-enylidenepyrrolidin-2-one
SMILESC=C/C=C1/NC(=O)C/C1=C/C(C)C
InChIInChI=1S/C11H15NO/c1-4-5-10-9(6-8(2)3)7-11(13)12-10/h4-6,8H,1,7H2,2-3H3,(H,12,13)/b9-6-,10-5+
InChIKeyQLVYEVHKUPUDPO-SCWCTGRGSA-N
MW177.25 g/mol
LogP2.16
Rot. Bonds2

About (4Z,5E)-4-(2-methylpropylidene)-5-prop-2-enylidenepyrrolidin-2-one

(4Z,5E)-4-(2-methylpropylidene)-5-prop-2-enylidenepyrrolidin-2-one (PubChem CID 88560661) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (4Z,5E)-4-(2-methylpropylidene)-5-prop-2-enylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(4Z,5E)-4-(2-methylpropylidene)-5-prop-2-enylidenepyrrolidin-2-one
PubChem CID88560661
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(4Z,5E)-4-(2-methylpropylidene)-5-prop-2-enylidenepyrrolidin-2-one
SMILESC=C/C=C1/NC(=O)C/C1=C/C(C)C
InChIInChI=1S/C11H15NO/c1-4-5-10-9(6-8(2)3)7-11(13)12-10/h4-6,8H,1,7H2,2-3H3,(H,12,13)/b9-6-,10-5+
InChIKeyQLVYEVHKUPUDPO-SCWCTGRGSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-4-(2-methylpropylidene)-5-prop-2-enylidenepyrrolidin-2-one?
The IUPAC name of (4Z,5E)-4-(2-methylpropylidene)-5-prop-2-enylidenepyrrolidin-2-one (CID 88560661) is (4Z,5E)-4-(2-methylpropylidene)-5-prop-2-enylidenepyrrolidin-2-one.
What is the SMILES notation for (4Z,5E)-4-(2-methylpropylidene)-5-prop-2-enylidenepyrrolidin-2-one?
The canonical SMILES for (4Z,5E)-4-(2-methylpropylidene)-5-prop-2-enylidenepyrrolidin-2-one is C=C/C=C1/NC(=O)C/C1=C/C(C)C.
What is the InChIKey of (4Z,5E)-4-(2-methylpropylidene)-5-prop-2-enylidenepyrrolidin-2-one?
The InChIKey is QLVYEVHKUPUDPO-SCWCTGRGSA-N. The full InChI is InChI=1S/C11H15NO/c1-4-5-10-9(6-8(2)3)7-11(13)12-10/h4-6,8H,1,7H2,2-3H3,(H,12,13)/b9-6-,10-5+.
What are the key properties of (4Z,5E)-4-(2-methylpropylidene)-5-prop-2-enylidenepyrrolidin-2-one?
(4Z,5E)-4-(2-methylpropylidene)-5-prop-2-enylidenepyrrolidin-2-one has a molecular weight of 177.25 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-4-(2-methylpropylidene)-5-prop-2-enylidenepyrrolidin-2-one is sourced from PubChem (CID 88560661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).