ethane;3-[5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]piperidine-2,6-dione

C16H23N3O2 — CID 167470499

IUPACethane;3-[5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]piperidine-2,6-dione
SMILESC=Cc1c(/C=C\C)c(C2CCC(=O)NC2=O)nn1C.CC
InChIInChI=1S/C14H17N3O2.C2H6/c1-4-6-9-11(5-2)17(3)16-13(9)10-7-8-12(18)15-14(10)19;1-2/h4-6,10H,2,7-8H2,1,3H3,(H,15,18,19);1-2H3/b6-4-;
InChIKeyRNCZHRFDIUBNMN-YHSAGPEESA-N
MW289.38 g/mol
LogP2.64
Rot. Bonds3

About ethane;3-[5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]piperidine-2,6-dione

ethane;3-[5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]piperidine-2,6-dione (PubChem CID 167470499) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethane;3-[5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-[5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]piperidine-2,6-dione
PubChem CID167470499
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Nameethane;3-[5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]piperidine-2,6-dione
SMILESC=Cc1c(/C=C\C)c(C2CCC(=O)NC2=O)nn1C.CC
InChIInChI=1S/C14H17N3O2.C2H6/c1-4-6-9-11(5-2)17(3)16-13(9)10-7-8-12(18)15-14(10)19;1-2/h4-6,10H,2,7-8H2,1,3H3,(H,15,18,19);1-2H3/b6-4-;
InChIKeyRNCZHRFDIUBNMN-YHSAGPEESA-N
XLogP2.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazol-3-yl]piperidine-2,6-dione
CID 176933299
3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione
CID 162510232
3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione
CID 178017694
(3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione
CID 130441981
3-(1,7,7-trimethylcyclohepta[c]pyrazol-3-yl)piperidine-2,6-dione
CID 175620442
3-[1,5-bis[(Z)-prop-1-enyl]imidazol-2-yl]piperidine-2,6-dione
CID 166536427
3-(6-ethyl-5-hydroxy-1-methylindazol-3-yl)piperidine-2,6-dione
CID 177160916
3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione
CID 138460739
3-(6-methyl-1-prop-2-enylindazol-3-yl)piperidine-2,6-dione
CID 170024158
ethane;3-[1-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-4-yl]-6-methylidenepiperidin-2-one
CID 167469898
1-[3-(2,6-dioxopiperidin-3-yl)-5-fluoro-1-methylindazol-6-yl]piperidine-4-carbaldehyde
CID 177144627
3-(6-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione
CID 176508925

Frequently Asked Questions

What is the IUPAC name of ethane;3-[5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]piperidine-2,6-dione?
The IUPAC name of ethane;3-[5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]piperidine-2,6-dione (CID 167470499) is ethane;3-[5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for ethane;3-[5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for ethane;3-[5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]piperidine-2,6-dione is C=Cc1c(/C=C\C)c(C2CCC(=O)NC2=O)nn1C.CC.
What is the InChIKey of ethane;3-[5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]piperidine-2,6-dione?
The InChIKey is RNCZHRFDIUBNMN-YHSAGPEESA-N. The full InChI is InChI=1S/C14H17N3O2.C2H6/c1-4-6-9-11(5-2)17(3)16-13(9)10-7-8-12(18)15-14(10)19;1-2/h4-6,10H,2,7-8H2,1,3H3,(H,15,18,19);1-2H3/b6-4-;.
What are the key properties of ethane;3-[5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]piperidine-2,6-dione?
ethane;3-[5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]piperidine-2,6-dione has a molecular weight of 289.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 167470499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).