(5Z)-5-butan-2-ylidene-2-ethyl-3-methylimidazol-4-one

C10H16N2O — CID 170794421

IUPAC(5Z)-5-butan-2-ylidene-2-ethyl-3-methylimidazol-4-one
SMILESCCC1=N/C(=C(/C)CC)C(=O)N1C
InChIInChI=1S/C10H16N2O/c1-5-7(3)9-10(13)12(4)8(6-2)11-9/h5-6H2,1-4H3/b9-7-
InChIKeyCRADKBABFZSZCB-CLFYSBASSA-N
MW180.25 g/mol
LogP1.95
Rot. Bonds2

About (5Z)-5-butan-2-ylidene-2-ethyl-3-methylimidazol-4-one

(5Z)-5-butan-2-ylidene-2-ethyl-3-methylimidazol-4-one (PubChem CID 170794421) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (5Z)-5-butan-2-ylidene-2-ethyl-3-methylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-butan-2-ylidene-2-ethyl-3-methylimidazol-4-one
PubChem CID170794421
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(5Z)-5-butan-2-ylidene-2-ethyl-3-methylimidazol-4-one
SMILESCCC1=N/C(=C(/C)CC)C(=O)N1C
InChIInChI=1S/C10H16N2O/c1-5-7(3)9-10(13)12(4)8(6-2)11-9/h5-6H2,1-4H3/b9-7-
InChIKeyCRADKBABFZSZCB-CLFYSBASSA-N
XLogP1.95
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.95
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)-5-butan-2-ylidene-2-ethyl-3-methylimidazol-4-one?
The IUPAC name of (5Z)-5-butan-2-ylidene-2-ethyl-3-methylimidazol-4-one (CID 170794421) is (5Z)-5-butan-2-ylidene-2-ethyl-3-methylimidazol-4-one.
What is the SMILES notation for (5Z)-5-butan-2-ylidene-2-ethyl-3-methylimidazol-4-one?
The canonical SMILES for (5Z)-5-butan-2-ylidene-2-ethyl-3-methylimidazol-4-one is CCC1=N/C(=C(/C)CC)C(=O)N1C.
What is the InChIKey of (5Z)-5-butan-2-ylidene-2-ethyl-3-methylimidazol-4-one?
The InChIKey is CRADKBABFZSZCB-CLFYSBASSA-N. The full InChI is InChI=1S/C10H16N2O/c1-5-7(3)9-10(13)12(4)8(6-2)11-9/h5-6H2,1-4H3/b9-7-.
What are the key properties of (5Z)-5-butan-2-ylidene-2-ethyl-3-methylimidazol-4-one?
(5Z)-5-butan-2-ylidene-2-ethyl-3-methylimidazol-4-one has a molecular weight of 180.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-butan-2-ylidene-2-ethyl-3-methylimidazol-4-one is sourced from PubChem (CID 170794421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).