(3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione

C14H18N2O2 — CID 130441981

IUPAC(3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione
SMILESC=CC1=C(/C=C\C)N([C@@H]2CCC(=O)NC2=O)CC1
InChIInChI=1S/C14H18N2O2/c1-3-5-11-10(4-2)8-9-16(11)12-6-7-13(17)15-14(12)18/h3-5,12H,2,6-9H2,1H3,(H,15,17,18)/b5-3-/t12-/m1/s1
InChIKeyBOYCRLSSPCZISZ-KTLBGCOUSA-N
MW246.31 g/mol
LogP1.51
Rot. Bonds3

About (3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione

(3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione (PubChem CID 130441981) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione
PubChem CID130441981
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione
SMILESC=CC1=C(/C=C\C)N([C@@H]2CCC(=O)NC2=O)CC1
InChIInChI=1S/C14H18N2O2/c1-3-5-11-10(4-2)8-9-16(11)12-6-7-13(17)15-14(12)18/h3-5,12H,2,6-9H2,1H3,(H,15,17,18)/b5-3-/t12-/m1/s1
InChIKeyBOYCRLSSPCZISZ-KTLBGCOUSA-N
XLogP1.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-ethenyl-4-ethyl-2,3-dihydropyrrol-1-yl)piperidine-2,6-dione
CID 176988089
3-[4-methyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 155296764
3-[5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 156712076
3-[6-methyl-5-[(Z)-prop-1-enyl]-4-azaspiro[2.4]hept-5-en-4-yl]piperidine-2,6-dione
CID 176988235
3-[3-ethyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 171627610
ethane;3-[(2E,3E)-3-ethylidene-2-prop-2-enylidenepiperazin-1-yl]piperidine-2,6-dione
CID 177343937
ethane;3-[7-ethyl-4-oxo-6-[(Z)-prop-1-enyl]-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione
CID 176987678
3-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 177212209
ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione
CID 177339089
3-[3,4-dimethyl-2-oxo-5-[(Z)-prop-1-enyl]imidazol-1-yl]piperidine-2,6-dione
CID 156799097
ethane;3-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane
CID 177212208
ethane;3-[5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]piperidine-2,6-dione
CID 167470499

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione?
The IUPAC name of (3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione (CID 130441981) is (3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione?
The canonical SMILES for (3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione is C=CC1=C(/C=C\C)N([C@@H]2CCC(=O)NC2=O)CC1.
What is the InChIKey of (3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione?
The InChIKey is BOYCRLSSPCZISZ-KTLBGCOUSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-5-11-10(4-2)8-9-16(11)12-6-7-13(17)15-14(12)18/h3-5,12H,2,6-9H2,1H3,(H,15,17,18)/b5-3-/t12-/m1/s1.
What are the key properties of (3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione?
(3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione has a molecular weight of 246.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 130441981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).