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

C10H13NO — CID 142090302

IUPAC(4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrolidin-2-one
SMILESC=C/C=C1C(=C/C)\CC(=O)N\1C
InChIInChI=1S/C10H13NO/c1-4-6-9-8(5-2)7-10(12)11(9)3/h4-6H,1,7H2,2-3H3/b8-5-,9-6+
InChIKeyYHXSHHHKCCSRPU-LDFAFZTOSA-N
MW163.22 g/mol
LogP1.86
Rot. Bonds1

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

(4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrolidin-2-one (PubChem CID 142090302) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrolidin-2-one
PubChem CID142090302
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrolidin-2-one
SMILESC=C/C=C1C(=C/C)\CC(=O)N\1C
InChIInChI=1S/C10H13NO/c1-4-6-9-8(5-2)7-10(12)11(9)3/h4-6H,1,7H2,2-3H3/b8-5-,9-6+
InChIKeyYHXSHHHKCCSRPU-LDFAFZTOSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrolidin-2-one?
The IUPAC name of (4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrolidin-2-one (CID 142090302) is (4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrolidin-2-one.
What is the SMILES notation for (4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrolidin-2-one?
The canonical SMILES for (4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrolidin-2-one is C=C/C=C1C(=C/C)\CC(=O)N\1C.
What is the InChIKey of (4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrolidin-2-one?
The InChIKey is YHXSHHHKCCSRPU-LDFAFZTOSA-N. The full InChI is InChI=1S/C10H13NO/c1-4-6-9-8(5-2)7-10(12)11(9)3/h4-6H,1,7H2,2-3H3/b8-5-,9-6+.
What are the key properties of (4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrolidin-2-one?
(4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrolidin-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrolidin-2-one is sourced from PubChem (CID 142090302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).