ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one

C11H18N2O — CID 143089748

IUPACethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one
SMILESC=CC1=C(/C=C\C)NCNC1=O.CC
InChIInChI=1S/C9H12N2O.C2H6/c1-3-5-8-7(4-2)9(12)11-6-10-8;1-2/h3-5,10H,2,6H2,1H3,(H,11,12);1-2H3/b5-3-;
InChIKeyLTGLYUNXOFACBE-FBZPGIPVSA-N
MW194.28 g/mol
LogP1.71
Rot. Bonds2

About ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one

ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one (PubChem CID 143089748) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one.

Molecular Properties

Compound Nameethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one
PubChem CID143089748
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Nameethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one
SMILESC=CC1=C(/C=C\C)NCNC1=O.CC
InChIInChI=1S/C9H12N2O.C2H6/c1-3-5-8-7(4-2)9(12)11-6-10-8;1-2/h3-5,10H,2,6H2,1H3,(H,11,12);1-2H3/b5-3-;
InChIKeyLTGLYUNXOFACBE-FBZPGIPVSA-N
XLogP1.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethenyl-3-[(Z)-4-methylpent-2-en-3-yl]-1,2-dihydropyrrol-5-one
CID 164907140
ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 142875398
ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
CID 142480313
ethane;3-ethenyl-4-methylpyrrole-2,5-dione;prop-1-ene
CID 145336115
6-ethenyl-5-[(Z)-prop-1-enyl]-4H-1,4-oxazin-3-one
CID 134485479
4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazol-2-one
CID 130247435
ethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine
CID 143453691
4,5-bis[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one
CID 129180583
3-[3,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]thiophen-2-yl]-2-ethenylcyclohex-2-en-1-one;ethane
CID 144723726
4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one
CID 144576255
ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-one
CID 143109190
(5E)-5-[(Z)-but-2-enylidene]-2-ethenyl-6-methylidene-3-[(Z)-prop-1-enyl]cyclohex-2-ene-1,4-dione;ethane
CID 144875528

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one?
The IUPAC name of ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one (CID 143089748) is ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one.
What is the SMILES notation for ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one?
The canonical SMILES for ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one is C=CC1=C(/C=C\C)NCNC1=O.CC.
What is the InChIKey of ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one?
The InChIKey is LTGLYUNXOFACBE-FBZPGIPVSA-N. The full InChI is InChI=1S/C9H12N2O.C2H6/c1-3-5-8-7(4-2)9(12)11-6-10-8;1-2/h3-5,10H,2,6H2,1H3,(H,11,12);1-2H3/b5-3-;.
What are the key properties of ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one?
ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one has a molecular weight of 194.28 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one is sourced from PubChem (CID 143089748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).