(5Z)-2,3-dimethyl-5-(piperidin-1-ylmethylidene)imidazol-4-one

C11H17N3O — CID 154700618

IUPAC(5Z)-2,3-dimethyl-5-(piperidin-1-ylmethylidene)imidazol-4-one
SMILESCC1=N/C(=C\N2CCCCC2)C(=O)N1C
InChIInChI=1S/C11H17N3O/c1-9-12-10(11(15)13(9)2)8-14-6-4-3-5-7-14/h8H,3-7H2,1-2H3/b10-8-
InChIKeyBBOGEGSGLMFPAC-NTMALXAHSA-N
MW207.28 g/mol
LogP1.20
Rot. Bonds1

About (5Z)-2,3-dimethyl-5-(piperidin-1-ylmethylidene)imidazol-4-one

(5Z)-2,3-dimethyl-5-(piperidin-1-ylmethylidene)imidazol-4-one (PubChem CID 154700618) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (5Z)-2,3-dimethyl-5-(piperidin-1-ylmethylidene)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-2,3-dimethyl-5-(piperidin-1-ylmethylidene)imidazol-4-one
PubChem CID154700618
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(5Z)-2,3-dimethyl-5-(piperidin-1-ylmethylidene)imidazol-4-one
SMILESCC1=N/C(=C\N2CCCCC2)C(=O)N1C
InChIInChI=1S/C11H17N3O/c1-9-12-10(11(15)13(9)2)8-14-6-4-3-5-7-14/h8H,3-7H2,1-2H3/b10-8-
InChIKeyBBOGEGSGLMFPAC-NTMALXAHSA-N
XLogP1.20
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5z)-2,3-Dimethyl-5-[(dimethylamino)methylidene]-3,5-dihydro-4h-imidazol-4-one
CID 154700593
(5z)-2,3-Dimethyl-5-(pyrrolidin-1-ylmethylidene)-3,5-dihydro-4h-imidazol-4-one
CID 154700608
(4E)-2-butyl-4-(dimethylaminomethylidene)-1H-imidazol-5-one
CID 135437282
(4Z)-2-butyl-4-(dimethylaminomethylidene)-1H-imidazol-5-one
CID 135480530
2-Butyl-4-dimethylaminomethylene-2-imidazolin-5-one
CID 136375570
(6R)-3-[iodo(methyl)amino]-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 163608970
3-amino-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CID 10702198
2-methyl-5-piperidin-1-yl-1H-pyrimidin-6-one
CID 13463840
5-Iodo-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66340483
5-Iodo-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66341375
3-Amino-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 115015394
2-Ethylidene-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-one
CID 130738790

Frequently Asked Questions

What is the IUPAC name of (5Z)-2,3-dimethyl-5-(piperidin-1-ylmethylidene)imidazol-4-one?
The IUPAC name of (5Z)-2,3-dimethyl-5-(piperidin-1-ylmethylidene)imidazol-4-one (CID 154700618) is (5Z)-2,3-dimethyl-5-(piperidin-1-ylmethylidene)imidazol-4-one.
What is the SMILES notation for (5Z)-2,3-dimethyl-5-(piperidin-1-ylmethylidene)imidazol-4-one?
The canonical SMILES for (5Z)-2,3-dimethyl-5-(piperidin-1-ylmethylidene)imidazol-4-one is CC1=N/C(=C\N2CCCCC2)C(=O)N1C.
What is the InChIKey of (5Z)-2,3-dimethyl-5-(piperidin-1-ylmethylidene)imidazol-4-one?
The InChIKey is BBOGEGSGLMFPAC-NTMALXAHSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-12-10(11(15)13(9)2)8-14-6-4-3-5-7-14/h8H,3-7H2,1-2H3/b10-8-.
What are the key properties of (5Z)-2,3-dimethyl-5-(piperidin-1-ylmethylidene)imidazol-4-one?
(5Z)-2,3-dimethyl-5-(piperidin-1-ylmethylidene)imidazol-4-one has a molecular weight of 207.28 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2,3-dimethyl-5-(piperidin-1-ylmethylidene)imidazol-4-one is sourced from PubChem (CID 154700618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).