(5Z)-2,3-dimethyl-5-(2-methylpropylidene)imidazol-4-one

C9H14N2O — CID 138667666

IUPAC(5Z)-2,3-dimethyl-5-(2-methylpropylidene)imidazol-4-one
SMILESCC1=N/C(=C\C(C)C)C(=O)N1C
InChIInChI=1S/C9H14N2O/c1-6(2)5-8-9(12)11(4)7(3)10-8/h5-6H,1-4H3/b8-5-
InChIKeyOTYFFDIPARUSEB-YVMONPNESA-N
MW166.22 g/mol
LogP1.42
Rot. Bonds1

About (5Z)-2,3-dimethyl-5-(2-methylpropylidene)imidazol-4-one

(5Z)-2,3-dimethyl-5-(2-methylpropylidene)imidazol-4-one (PubChem CID 138667666) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (5Z)-2,3-dimethyl-5-(2-methylpropylidene)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-2,3-dimethyl-5-(2-methylpropylidene)imidazol-4-one
PubChem CID138667666
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(5Z)-2,3-dimethyl-5-(2-methylpropylidene)imidazol-4-one
SMILESCC1=N/C(=C\C(C)C)C(=O)N1C
InChIInChI=1S/C9H14N2O/c1-6(2)5-8-9(12)11(4)7(3)10-8/h5-6H,1-4H3/b8-5-
InChIKeyOTYFFDIPARUSEB-YVMONPNESA-N
XLogP1.42
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.42
H-Bond Donors ≤ 50
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 (5Z)-2,3-dimethyl-5-(2-methylpropylidene)imidazol-4-one?
The IUPAC name of (5Z)-2,3-dimethyl-5-(2-methylpropylidene)imidazol-4-one (CID 138667666) is (5Z)-2,3-dimethyl-5-(2-methylpropylidene)imidazol-4-one.
What is the SMILES notation for (5Z)-2,3-dimethyl-5-(2-methylpropylidene)imidazol-4-one?
The canonical SMILES for (5Z)-2,3-dimethyl-5-(2-methylpropylidene)imidazol-4-one is CC1=N/C(=C\C(C)C)C(=O)N1C.
What is the InChIKey of (5Z)-2,3-dimethyl-5-(2-methylpropylidene)imidazol-4-one?
The InChIKey is OTYFFDIPARUSEB-YVMONPNESA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)5-8-9(12)11(4)7(3)10-8/h5-6H,1-4H3/b8-5-.
What are the key properties of (5Z)-2,3-dimethyl-5-(2-methylpropylidene)imidazol-4-one?
(5Z)-2,3-dimethyl-5-(2-methylpropylidene)imidazol-4-one has a molecular weight of 166.22 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2,3-dimethyl-5-(2-methylpropylidene)imidazol-4-one is sourced from PubChem (CID 138667666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).