(4E)-4-(dimethylaminomethylidene)pyrrolidin-3-one

C7H12N2O — CID 174928805

IUPAC(4E)-4-(dimethylaminomethylidene)pyrrolidin-3-one
SMILESCN(C)/C=C1\CNCC1=O
InChIInChI=1S/C7H12N2O/c1-9(2)5-6-3-8-4-7(6)10/h5,8H,3-4H2,1-2H3/b6-5+
InChIKeyXBWYXPSCVLPTAU-AATRIKPKSA-N
MW140.19 g/mol
LogP-0.40
Rot. Bonds1

About (4E)-4-(dimethylaminomethylidene)pyrrolidin-3-one

(4E)-4-(dimethylaminomethylidene)pyrrolidin-3-one (PubChem CID 174928805) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (4E)-4-(dimethylaminomethylidene)pyrrolidin-3-one.

Molecular Properties

Compound Name(4E)-4-(dimethylaminomethylidene)pyrrolidin-3-one
PubChem CID174928805
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(4E)-4-(dimethylaminomethylidene)pyrrolidin-3-one
SMILESCN(C)/C=C1\CNCC1=O
InChIInChI=1S/C7H12N2O/c1-9(2)5-6-3-8-4-7(6)10/h5,8H,3-4H2,1-2H3/b6-5+
InChIKeyXBWYXPSCVLPTAU-AATRIKPKSA-N
XLogP-0.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-(dimethylaminomethylidene)pyrrolidin-3-one?
The IUPAC name of (4E)-4-(dimethylaminomethylidene)pyrrolidin-3-one (CID 174928805) is (4E)-4-(dimethylaminomethylidene)pyrrolidin-3-one.
What is the SMILES notation for (4E)-4-(dimethylaminomethylidene)pyrrolidin-3-one?
The canonical SMILES for (4E)-4-(dimethylaminomethylidene)pyrrolidin-3-one is CN(C)/C=C1\CNCC1=O.
What is the InChIKey of (4E)-4-(dimethylaminomethylidene)pyrrolidin-3-one?
The InChIKey is XBWYXPSCVLPTAU-AATRIKPKSA-N. The full InChI is InChI=1S/C7H12N2O/c1-9(2)5-6-3-8-4-7(6)10/h5,8H,3-4H2,1-2H3/b6-5+.
What are the key properties of (4E)-4-(dimethylaminomethylidene)pyrrolidin-3-one?
(4E)-4-(dimethylaminomethylidene)pyrrolidin-3-one has a molecular weight of 140.19 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(dimethylaminomethylidene)pyrrolidin-3-one is sourced from PubChem (CID 174928805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).