5-[(Z)-(3,3-dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-one

C13H18N2O2 — CID 6914083

IUPAC5-[(Z)-(3,3-dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-one
SMILESCC1(C)CC(=O)N=C1/C=C1\NC(=O)CC1(C)C
InChIInChI=1S/C13H18N2O2/c1-12(2)6-10(16)14-8(12)5-9-13(3,4)7-11(17)15-9/h5H,6-7H2,1-4H3,(H,14,16)/b8-5-
InChIKeyDQNPJXNNYOULIG-YVMONPNESA-N
MW234.30 g/mol
LogP1.81
Rot. Bonds1

About 5-[(Z)-(3,3-dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-one

5-[(Z)-(3,3-dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-one (PubChem CID 6914083) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-[(Z)-(3,3-dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-one.

Molecular Properties

Compound Name5-[(Z)-(3,3-dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-one
PubChem CID6914083
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-[(Z)-(3,3-dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-one
SMILESCC1(C)CC(=O)N=C1/C=C1\NC(=O)CC1(C)C
InChIInChI=1S/C13H18N2O2/c1-12(2)6-10(16)14-8(12)5-9-13(3,4)7-11(17)15-9/h5H,6-7H2,1-4H3,(H,14,16)/b8-5-
InChIKeyDQNPJXNNYOULIG-YVMONPNESA-N
XLogP1.81
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(Z)-(3,3-dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(3,3-dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-one?
The IUPAC name of 5-[(Z)-(3,3-dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-one (CID 6914083) is 5-[(Z)-(3,3-dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-one.
What is the SMILES notation for 5-[(Z)-(3,3-dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-one?
The canonical SMILES for 5-[(Z)-(3,3-dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-one is CC1(C)CC(=O)N=C1/C=C1\NC(=O)CC1(C)C.
What is the InChIKey of 5-[(Z)-(3,3-dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-one?
The InChIKey is DQNPJXNNYOULIG-YVMONPNESA-N. The full InChI is InChI=1S/C13H18N2O2/c1-12(2)6-10(16)14-8(12)5-9-13(3,4)7-11(17)15-9/h5H,6-7H2,1-4H3,(H,14,16)/b8-5-.
What are the key properties of 5-[(Z)-(3,3-dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-one?
5-[(Z)-(3,3-dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(3,3-dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-one is sourced from PubChem (CID 6914083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).