ethane;N-methyl-2-[3-methyl-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-5-oxopentanamide

C16H24N2O4 — CID 166132621

IUPACethane;N-methyl-2-[3-methyl-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-5-oxopentanamide
SMILESC/C=C\C1=C(C)C(=O)N(C(CCC=O)C(=O)NC)C1=O.CC
InChIInChI=1S/C14H18N2O4.C2H6/c1-4-6-10-9(2)13(19)16(14(10)20)11(7-5-8-17)12(18)15-3;1-2/h4,6,8,11H,5,7H2,1-3H3,(H,15,18);1-2H3/b6-4-;
InChIKeyHQNVZBWGOCCZFU-YHSAGPEESA-N
MW308.38 g/mol
LogP1.37
Rot. Bonds6

About ethane;N-methyl-2-[3-methyl-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-5-oxopentanamide

ethane;N-methyl-2-[3-methyl-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-5-oxopentanamide (PubChem CID 166132621) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethane;N-methyl-2-[3-methyl-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-5-oxopentanamide.

Molecular Properties

Compound Nameethane;N-methyl-2-[3-methyl-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-5-oxopentanamide
PubChem CID166132621
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nameethane;N-methyl-2-[3-methyl-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-5-oxopentanamide
SMILESC/C=C\C1=C(C)C(=O)N(C(CCC=O)C(=O)NC)C1=O.CC
InChIInChI=1S/C14H18N2O4.C2H6/c1-4-6-10-9(2)13(19)16(14(10)20)11(7-5-8-17)12(18)15-3;1-2/h4,6,8,11H,5,7H2,1-3H3,(H,15,18);1-2H3/b6-4-;
InChIKeyHQNVZBWGOCCZFU-YHSAGPEESA-N
XLogP1.37
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-[3-methyl-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-5-oxopentanamide?
The IUPAC name of ethane;N-methyl-2-[3-methyl-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-5-oxopentanamide (CID 166132621) is ethane;N-methyl-2-[3-methyl-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-5-oxopentanamide.
What is the SMILES notation for ethane;N-methyl-2-[3-methyl-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-5-oxopentanamide?
The canonical SMILES for ethane;N-methyl-2-[3-methyl-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-5-oxopentanamide is C/C=C\C1=C(C)C(=O)N(C(CCC=O)C(=O)NC)C1=O.CC.
What is the InChIKey of ethane;N-methyl-2-[3-methyl-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-5-oxopentanamide?
The InChIKey is HQNVZBWGOCCZFU-YHSAGPEESA-N. The full InChI is InChI=1S/C14H18N2O4.C2H6/c1-4-6-10-9(2)13(19)16(14(10)20)11(7-5-8-17)12(18)15-3;1-2/h4,6,8,11H,5,7H2,1-3H3,(H,15,18);1-2H3/b6-4-;.
What are the key properties of ethane;N-methyl-2-[3-methyl-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-5-oxopentanamide?
ethane;N-methyl-2-[3-methyl-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-5-oxopentanamide has a molecular weight of 308.38 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-[3-methyl-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-5-oxopentanamide is sourced from PubChem (CID 166132621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).