(3Z)-3-(3,3-dimethylpyrrolidin-2-ylidene)-1-methylpiperidin-2-one

C12H20N2O — CID 11195138

IUPAC(3Z)-3-(3,3-dimethylpyrrolidin-2-ylidene)-1-methylpiperidin-2-one
SMILESCN1CCC/C(=C2/NCCC2(C)C)C1=O
InChIInChI=1S/C12H20N2O/c1-12(2)6-7-13-10(12)9-5-4-8-14(3)11(9)15/h13H,4-8H2,1-3H3/b10-9-
InChIKeyXSXLASDAQGWKAP-KTKRTIGZSA-N
MW208.30 g/mol
LogP1.51
Rot. Bonds

About (3Z)-3-(3,3-dimethylpyrrolidin-2-ylidene)-1-methylpiperidin-2-one

(3Z)-3-(3,3-dimethylpyrrolidin-2-ylidene)-1-methylpiperidin-2-one (PubChem CID 11195138) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (3Z)-3-(3,3-dimethylpyrrolidin-2-ylidene)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name(3Z)-3-(3,3-dimethylpyrrolidin-2-ylidene)-1-methylpiperidin-2-one
PubChem CID11195138
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(3Z)-3-(3,3-dimethylpyrrolidin-2-ylidene)-1-methylpiperidin-2-one
SMILESCN1CCC/C(=C2/NCCC2(C)C)C1=O
InChIInChI=1S/C12H20N2O/c1-12(2)6-7-13-10(12)9-5-4-8-14(3)11(9)15/h13H,4-8H2,1-3H3/b10-9-
InChIKeyXSXLASDAQGWKAP-KTKRTIGZSA-N
XLogP1.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3Z)-3-(3,3-dimethylpyrrolidin-2-ylidene)-1-methylpiperidin-2-one?
The IUPAC name of (3Z)-3-(3,3-dimethylpyrrolidin-2-ylidene)-1-methylpiperidin-2-one (CID 11195138) is (3Z)-3-(3,3-dimethylpyrrolidin-2-ylidene)-1-methylpiperidin-2-one.
What is the SMILES notation for (3Z)-3-(3,3-dimethylpyrrolidin-2-ylidene)-1-methylpiperidin-2-one?
The canonical SMILES for (3Z)-3-(3,3-dimethylpyrrolidin-2-ylidene)-1-methylpiperidin-2-one is CN1CCC/C(=C2/NCCC2(C)C)C1=O.
What is the InChIKey of (3Z)-3-(3,3-dimethylpyrrolidin-2-ylidene)-1-methylpiperidin-2-one?
The InChIKey is XSXLASDAQGWKAP-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2)6-7-13-10(12)9-5-4-8-14(3)11(9)15/h13H,4-8H2,1-3H3/b10-9-.
What are the key properties of (3Z)-3-(3,3-dimethylpyrrolidin-2-ylidene)-1-methylpiperidin-2-one?
(3Z)-3-(3,3-dimethylpyrrolidin-2-ylidene)-1-methylpiperidin-2-one has a molecular weight of 208.30 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(3,3-dimethylpyrrolidin-2-ylidene)-1-methylpiperidin-2-one is sourced from PubChem (CID 11195138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).