ethane;3-[1-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-4-yl]-6-methylidenepiperidin-2-one

C16H23N3O — CID 167469898

IUPACethane;3-[1-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-4-yl]-6-methylidenepiperidin-2-one
SMILESC=Cn1ncc(C2CCC(=C)NC2=O)c1/C=C\C.CC
InChIInChI=1S/C14H17N3O.C2H6/c1-4-6-13-12(9-15-17(13)5-2)11-8-7-10(3)16-14(11)18;1-2/h4-6,9,11H,2-3,7-8H2,1H3,(H,16,18);1-2H3/b6-4-;
InChIKeyQRUHHUSSXBZTCD-YHSAGPEESA-N
MW273.38 g/mol
LogP3.55
Rot. Bonds3

About ethane;3-[1-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-4-yl]-6-methylidenepiperidin-2-one

ethane;3-[1-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-4-yl]-6-methylidenepiperidin-2-one (PubChem CID 167469898) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is ethane;3-[1-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-4-yl]-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Nameethane;3-[1-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-4-yl]-6-methylidenepiperidin-2-one
PubChem CID167469898
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Nameethane;3-[1-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-4-yl]-6-methylidenepiperidin-2-one
SMILESC=Cn1ncc(C2CCC(=C)NC2=O)c1/C=C\C.CC
InChIInChI=1S/C14H17N3O.C2H6/c1-4-6-13-12(9-15-17(13)5-2)11-8-7-10(3)16-14(11)18;1-2/h4-6,9,11H,2-3,7-8H2,1H3,(H,16,18);1-2H3/b6-4-;
InChIKeyQRUHHUSSXBZTCD-YHSAGPEESA-N
XLogP3.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[1-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-4-yl]-6-methylidenepiperidin-2-one?
The IUPAC name of ethane;3-[1-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-4-yl]-6-methylidenepiperidin-2-one (CID 167469898) is ethane;3-[1-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-4-yl]-6-methylidenepiperidin-2-one.
What is the SMILES notation for ethane;3-[1-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-4-yl]-6-methylidenepiperidin-2-one?
The canonical SMILES for ethane;3-[1-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-4-yl]-6-methylidenepiperidin-2-one is C=Cn1ncc(C2CCC(=C)NC2=O)c1/C=C\C.CC.
What is the InChIKey of ethane;3-[1-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-4-yl]-6-methylidenepiperidin-2-one?
The InChIKey is QRUHHUSSXBZTCD-YHSAGPEESA-N. The full InChI is InChI=1S/C14H17N3O.C2H6/c1-4-6-13-12(9-15-17(13)5-2)11-8-7-10(3)16-14(11)18;1-2/h4-6,9,11H,2-3,7-8H2,1H3,(H,16,18);1-2H3/b6-4-;.
What are the key properties of ethane;3-[1-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-4-yl]-6-methylidenepiperidin-2-one?
ethane;3-[1-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-4-yl]-6-methylidenepiperidin-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[1-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-4-yl]-6-methylidenepiperidin-2-one is sourced from PubChem (CID 167469898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).