ethane;2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one

C11H16N2O — CID 143195780

IUPACethane;2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one
SMILESC=Cc1nccc(=O)n1/C=C\C.CC
InChIInChI=1S/C9H10N2O.C2H6/c1-3-7-11-8(4-2)10-6-5-9(11)12;1-2/h3-7H,2H2,1H3;1-2H3/b7-3-;
InChIKeyTYVZCROASUEUHT-WYLUAFJRSA-N
MW192.26 g/mol
LogP2.40
Rot. Bonds2

About ethane;2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one

ethane;2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one (PubChem CID 143195780) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is ethane;2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one.

Molecular Properties

Compound Nameethane;2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one
PubChem CID143195780
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Nameethane;2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one
SMILESC=Cc1nccc(=O)n1/C=C\C.CC
InChIInChI=1S/C9H10N2O.C2H6/c1-3-7-11-8(4-2)10-6-5-9(11)12;1-2/h3-7H,2H2,1H3;1-2H3/b7-3-;
InChIKeyTYVZCROASUEUHT-WYLUAFJRSA-N
XLogP2.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4H-Pyrido[1,2-a]pyrimidin-4-one
CID 354785
2,3-Dimethyl-4(3H)-pyrimidinone
CID 544933
1-Ethyl-2-methyl-1,4-dihydropyrimidin-4-one
CID 130153255
4h-Pyrimido[1,6-a]pyrimidin-4-one
CID 18919015
6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 53640157
3-Ethenyl-2-(fluoromethyl)pyrimidin-4-one
CID 159542129
2-(Diethylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 340742
3-Ethyl-2-methylpyrimidin-4-one
CID 295916
3-Ethylpyrimidin-4-one
CID 303829
2-(1,1-Dimethylethyl)-3-methyl-4(3H)-pyrimidinone
CID 15744747
1,5-Diazabicyclo[4.2.0]octa-3,5,7-trien-2-one
CID 91435698
Bzdcwuysfgfzbo-uhfffaoysa-
CID 12335023

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one?
The IUPAC name of ethane;2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one (CID 143195780) is ethane;2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one.
What is the SMILES notation for ethane;2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one?
The canonical SMILES for ethane;2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one is C=Cc1nccc(=O)n1/C=C\C.CC.
What is the InChIKey of ethane;2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one?
The InChIKey is TYVZCROASUEUHT-WYLUAFJRSA-N. The full InChI is InChI=1S/C9H10N2O.C2H6/c1-3-7-11-8(4-2)10-6-5-9(11)12;1-2/h3-7H,2H2,1H3;1-2H3/b7-3-;.
What are the key properties of ethane;2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one?
ethane;2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one has a molecular weight of 192.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one is sourced from PubChem (CID 143195780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).