ethyl 1-ethyl-2,5-dimethyl-4-[3-oxo-3-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]prop-1-enyl]pyrrole-3-carboxylate

C19H24N4O4 — CID 78829506

IUPACethyl 1-ethyl-2,5-dimethyl-4-[3-oxo-3-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]prop-1-enyl]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C=CC(=O)NNC(=O)c2ccc[nH]2)c(C)n(CC)c1C
InChIInChI=1S/C19H24N4O4/c1-5-23-12(3)14(17(13(23)4)19(26)27-6-2)9-10-16(24)21-22-18(25)15-8-7-11-20-15/h7-11,20H,5-6H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyYMFMEDLFIVZQCN-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.10
Rot. Bonds6

About ethyl 1-ethyl-2,5-dimethyl-4-[3-oxo-3-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]prop-1-enyl]pyrrole-3-carboxylate

ethyl 1-ethyl-2,5-dimethyl-4-[3-oxo-3-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]prop-1-enyl]pyrrole-3-carboxylate (PubChem CID 78829506) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is ethyl 1-ethyl-2,5-dimethyl-4-[3-oxo-3-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]prop-1-enyl]pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-2,5-dimethyl-4-[3-oxo-3-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]prop-1-enyl]pyrrole-3-carboxylate
PubChem CID78829506
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Nameethyl 1-ethyl-2,5-dimethyl-4-[3-oxo-3-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]prop-1-enyl]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C=CC(=O)NNC(=O)c2ccc[nH]2)c(C)n(CC)c1C
InChIInChI=1S/C19H24N4O4/c1-5-23-12(3)14(17(13(23)4)19(26)27-6-2)9-10-16(24)21-22-18(25)15-8-7-11-20-15/h7-11,20H,5-6H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyYMFMEDLFIVZQCN-UHFFFAOYSA-N
XLogP2.10
TPSA105.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-2,5-dimethyl-4-[3-oxo-3-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]prop-1-enyl]pyrrole-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-2,5-dimethyl-4-[3-oxo-3-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]prop-1-enyl]pyrrole-3-carboxylate (CID 78829506) is ethyl 1-ethyl-2,5-dimethyl-4-[3-oxo-3-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]prop-1-enyl]pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-2,5-dimethyl-4-[3-oxo-3-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]prop-1-enyl]pyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-2,5-dimethyl-4-[3-oxo-3-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]prop-1-enyl]pyrrole-3-carboxylate is CCOC(=O)c1c(C=CC(=O)NNC(=O)c2ccc[nH]2)c(C)n(CC)c1C.
What is the InChIKey of ethyl 1-ethyl-2,5-dimethyl-4-[3-oxo-3-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]prop-1-enyl]pyrrole-3-carboxylate?
The InChIKey is YMFMEDLFIVZQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-5-23-12(3)14(17(13(23)4)19(26)27-6-2)9-10-16(24)21-22-18(25)15-8-7-11-20-15/h7-11,20H,5-6H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of ethyl 1-ethyl-2,5-dimethyl-4-[3-oxo-3-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]prop-1-enyl]pyrrole-3-carboxylate?
ethyl 1-ethyl-2,5-dimethyl-4-[3-oxo-3-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]prop-1-enyl]pyrrole-3-carboxylate has a molecular weight of 372.43 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-2,5-dimethyl-4-[3-oxo-3-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]prop-1-enyl]pyrrole-3-carboxylate is sourced from PubChem (CID 78829506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).