(5Z)-5-(dimethylaminomethylidene)-2-methyl-2-(1-methylpyrazol-4-yl)cyclopentan-1-one

C13H19N3O — CID 170741326

IUPAC(5Z)-5-(dimethylaminomethylidene)-2-methyl-2-(1-methylpyrazol-4-yl)cyclopentan-1-one
SMILESCN(C)/C=C1/CCC(C)(c2cnn(C)c2)C1=O
InChIInChI=1S/C13H19N3O/c1-13(11-7-14-16(4)9-11)6-5-10(12(13)17)8-15(2)3/h7-9H,5-6H2,1-4H3/b10-8-
InChIKeyASGZXJOZEWVZBQ-NTMALXAHSA-N
MW233.31 g/mol
LogP1.49
Rot. Bonds2

About (5Z)-5-(dimethylaminomethylidene)-2-methyl-2-(1-methylpyrazol-4-yl)cyclopentan-1-one

(5Z)-5-(dimethylaminomethylidene)-2-methyl-2-(1-methylpyrazol-4-yl)cyclopentan-1-one (PubChem CID 170741326) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (5Z)-5-(dimethylaminomethylidene)-2-methyl-2-(1-methylpyrazol-4-yl)cyclopentan-1-one.

Molecular Properties

Compound Name(5Z)-5-(dimethylaminomethylidene)-2-methyl-2-(1-methylpyrazol-4-yl)cyclopentan-1-one
PubChem CID170741326
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(5Z)-5-(dimethylaminomethylidene)-2-methyl-2-(1-methylpyrazol-4-yl)cyclopentan-1-one
SMILESCN(C)/C=C1/CCC(C)(c2cnn(C)c2)C1=O
InChIInChI=1S/C13H19N3O/c1-13(11-7-14-16(4)9-11)6-5-10(12(13)17)8-15(2)3/h7-9H,5-6H2,1-4H3/b10-8-
InChIKeyASGZXJOZEWVZBQ-NTMALXAHSA-N
XLogP1.49
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (5Z)-5-(dimethylaminomethylidene)-2-methyl-2-(1-methylpyrazol-4-yl)cyclopentan-1-one?
The IUPAC name of (5Z)-5-(dimethylaminomethylidene)-2-methyl-2-(1-methylpyrazol-4-yl)cyclopentan-1-one (CID 170741326) is (5Z)-5-(dimethylaminomethylidene)-2-methyl-2-(1-methylpyrazol-4-yl)cyclopentan-1-one.
What is the SMILES notation for (5Z)-5-(dimethylaminomethylidene)-2-methyl-2-(1-methylpyrazol-4-yl)cyclopentan-1-one?
The canonical SMILES for (5Z)-5-(dimethylaminomethylidene)-2-methyl-2-(1-methylpyrazol-4-yl)cyclopentan-1-one is CN(C)/C=C1/CCC(C)(c2cnn(C)c2)C1=O.
What is the InChIKey of (5Z)-5-(dimethylaminomethylidene)-2-methyl-2-(1-methylpyrazol-4-yl)cyclopentan-1-one?
The InChIKey is ASGZXJOZEWVZBQ-NTMALXAHSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(11-7-14-16(4)9-11)6-5-10(12(13)17)8-15(2)3/h7-9H,5-6H2,1-4H3/b10-8-.
What are the key properties of (5Z)-5-(dimethylaminomethylidene)-2-methyl-2-(1-methylpyrazol-4-yl)cyclopentan-1-one?
(5Z)-5-(dimethylaminomethylidene)-2-methyl-2-(1-methylpyrazol-4-yl)cyclopentan-1-one has a molecular weight of 233.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(dimethylaminomethylidene)-2-methyl-2-(1-methylpyrazol-4-yl)cyclopentan-1-one is sourced from PubChem (CID 170741326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).