(4Z)-3,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one

C10H13NO — CID 88950167

IUPAC(4Z)-3,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one
SMILESC=C/C=C1\C(=C)NC(=O)C1(C)C
InChIInChI=1S/C10H13NO/c1-5-6-8-7(2)11-9(12)10(8,3)4/h5-6H,1-2H2,3-4H3,(H,11,12)/b8-6+
InChIKeyDWZYRZKIQYYVDX-SOFGYWHQSA-N
MW163.22 g/mol
LogP1.77
Rot. Bonds1

About (4Z)-3,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one

(4Z)-3,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one (PubChem CID 88950167) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (4Z)-3,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(4Z)-3,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one
PubChem CID88950167
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(4Z)-3,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one
SMILESC=C/C=C1\C(=C)NC(=O)C1(C)C
InChIInChI=1S/C10H13NO/c1-5-6-8-7(2)11-9(12)10(8,3)4/h5-6H,1-2H2,3-4H3,(H,11,12)/b8-6+
InChIKeyDWZYRZKIQYYVDX-SOFGYWHQSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4Z)-3,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one?
The IUPAC name of (4Z)-3,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one (CID 88950167) is (4Z)-3,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one.
What is the SMILES notation for (4Z)-3,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one?
The canonical SMILES for (4Z)-3,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one is C=C/C=C1\C(=C)NC(=O)C1(C)C.
What is the InChIKey of (4Z)-3,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one?
The InChIKey is DWZYRZKIQYYVDX-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H13NO/c1-5-6-8-7(2)11-9(12)10(8,3)4/h5-6H,1-2H2,3-4H3,(H,11,12)/b8-6+.
What are the key properties of (4Z)-3,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one?
(4Z)-3,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one is sourced from PubChem (CID 88950167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).