ethane;1-piperidin-3-yl-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione

C17H26N2O2 — CID 144582351

IUPACethane;1-piperidin-3-yl-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione
SMILESC/C=C\C1=C(/C=C\C)C(=O)N(C2CCCNC2)C1=O.CC
InChIInChI=1S/C15H20N2O2.C2H6/c1-3-6-12-13(7-4-2)15(19)17(14(12)18)11-8-5-9-16-10-11;1-2/h3-4,6-7,11,16H,5,8-10H2,1-2H3;1-2H3/b6-3-,7-4-;
InChIKeyQUBXGNWZYRCIIA-VZQQMBJGSA-N
MW290.41 g/mol
LogP2.58
Rot. Bonds3

About ethane;1-piperidin-3-yl-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione

ethane;1-piperidin-3-yl-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione (PubChem CID 144582351) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is ethane;1-piperidin-3-yl-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione.

Molecular Properties

Compound Nameethane;1-piperidin-3-yl-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione
PubChem CID144582351
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nameethane;1-piperidin-3-yl-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione
SMILESC/C=C\C1=C(/C=C\C)C(=O)N(C2CCCNC2)C1=O.CC
InChIInChI=1S/C15H20N2O2.C2H6/c1-3-6-12-13(7-4-2)15(19)17(14(12)18)11-8-5-9-16-10-11;1-2/h3-4,6-7,11,16H,5,8-10H2,1-2H3;1-2H3/b6-3-,7-4-;
InChIKeyQUBXGNWZYRCIIA-VZQQMBJGSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-piperidin-3-yl-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione?
The IUPAC name of ethane;1-piperidin-3-yl-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione (CID 144582351) is ethane;1-piperidin-3-yl-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione.
What is the SMILES notation for ethane;1-piperidin-3-yl-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione?
The canonical SMILES for ethane;1-piperidin-3-yl-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione is C/C=C\C1=C(/C=C\C)C(=O)N(C2CCCNC2)C1=O.CC.
What is the InChIKey of ethane;1-piperidin-3-yl-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione?
The InChIKey is QUBXGNWZYRCIIA-VZQQMBJGSA-N. The full InChI is InChI=1S/C15H20N2O2.C2H6/c1-3-6-12-13(7-4-2)15(19)17(14(12)18)11-8-5-9-16-10-11;1-2/h3-4,6-7,11,16H,5,8-10H2,1-2H3;1-2H3/b6-3-,7-4-;.
What are the key properties of ethane;1-piperidin-3-yl-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione?
ethane;1-piperidin-3-yl-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione has a molecular weight of 290.41 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-piperidin-3-yl-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione is sourced from PubChem (CID 144582351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).