ethane;(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one

C9H16N2O — CID 145445213

IUPACethane;(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one
SMILESC/C=C1\N=C(C)N(C)C1=O.CC
InChIInChI=1S/C7H10N2O.C2H6/c1-4-6-7(10)9(3)5(2)8-6;1-2/h4H,1-3H3;1-2H3/b6-4-;
InChIKeyUUOYUGYZMXCYKL-YHSAGPEESA-N
MW168.24 g/mol
LogP1.81
Rot. Bonds

About ethane;(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one

ethane;(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one (PubChem CID 145445213) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is ethane;(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one.

Molecular Properties

Compound Nameethane;(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one
PubChem CID145445213
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Nameethane;(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one
SMILESC/C=C1\N=C(C)N(C)C1=O.CC
InChIInChI=1S/C7H10N2O.C2H6/c1-4-6-7(10)9(3)5(2)8-6;1-2/h4H,1-3H3;1-2H3/b6-4-;
InChIKeyUUOYUGYZMXCYKL-YHSAGPEESA-N
XLogP1.81
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.81
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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Related Compounds

1,2-Dimethyl-4-methylaminoethylidene-5-imidazolone
CID 129786331
(5z)-2,3-Dimethyl-5-[(dimethylamino)methylidene]-3,5-dihydro-4h-imidazol-4-one
CID 154700593
2,3-Dimethyl-5-methylideneimidazol-4-one
CID 20614783
(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one
CID 59996536
2,3-Dimethyl-5-(methyliminomethylidene)imidazol-4-one
CID 138667028
(5Z)-2,3-dimethyl-5-(2-methylpropylidene)imidazol-4-one
CID 138667666
(5Z)-5-(2,2-dimethylpropylidene)-2,3-dimethylimidazol-4-one
CID 139315215
Ethane;2,3,6-trimethylpyrimidin-4-one
CID 145287260
(5Z)-2-tert-butyl-5-(2,2-dimethylpropylidene)-3-methylimidazol-4-one
CID 146798510
2,3-Dimethyl-5-propan-2-ylideneimidazol-4-one
CID 170794422
2-Ethyl-3-methyl-5-propan-2-ylideneimidazol-4-one
CID 170794448
2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide
CID 7748971

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one?
The IUPAC name of ethane;(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one (CID 145445213) is ethane;(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one.
What is the SMILES notation for ethane;(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one?
The canonical SMILES for ethane;(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one is C/C=C1\N=C(C)N(C)C1=O.CC.
What is the InChIKey of ethane;(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one?
The InChIKey is UUOYUGYZMXCYKL-YHSAGPEESA-N. The full InChI is InChI=1S/C7H10N2O.C2H6/c1-4-6-7(10)9(3)5(2)8-6;1-2/h4H,1-3H3;1-2H3/b6-4-;.
What are the key properties of ethane;(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one?
ethane;(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one has a molecular weight of 168.24 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one is sourced from PubChem (CID 145445213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).