[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-butyl-6-oxopyridazine-3-carboxylate

C15H17N3O4 — CID 30695777

IUPAC[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-butyl-6-oxopyridazine-3-carboxylate
SMILESCCCCn1nc(C(=O)OCC(=O)c2ccc[nH]2)ccc1=O
InChIInChI=1S/C15H17N3O4/c1-2-3-9-18-14(20)7-6-12(17-18)15(21)22-10-13(19)11-5-4-8-16-11/h4-8,16H,2-3,9-10H2,1H3
InChIKeySBKVUTUISFCGIK-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.41
Rot. Bonds7

About [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-butyl-6-oxopyridazine-3-carboxylate

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-butyl-6-oxopyridazine-3-carboxylate (PubChem CID 30695777) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-butyl-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-butyl-6-oxopyridazine-3-carboxylate
PubChem CID30695777
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-butyl-6-oxopyridazine-3-carboxylate
SMILESCCCCn1nc(C(=O)OCC(=O)c2ccc[nH]2)ccc1=O
InChIInChI=1S/C15H17N3O4/c1-2-3-9-18-14(20)7-6-12(17-18)15(21)22-10-13(19)11-5-4-8-16-11/h4-8,16H,2-3,9-10H2,1H3
InChIKeySBKVUTUISFCGIK-UHFFFAOYSA-N
XLogP1.41
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 7978529
[2-(4-butylphenyl)-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 55310829
[2-(4-acetamidoanilino)-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 30682315
(2-oxo-2-phenothiazin-10-ylethyl) 1-butyl-6-oxopyridazine-3-carboxylate
CID 30695655
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 55400244
2-(1,3-dioxoisoindol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate
CID 30682303
[2-(cyclopentylamino)-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 18080240
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 32799796
(2,6-dichlorophenyl) 1-butyl-6-oxopyridazine-3-carboxylate
CID 86975448
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 1-butyl-6-oxopyridazine-3-carboxylate
CID 18283740
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 18084954
1-butyl-N-[(2-methylpropan-2-yl)oxy]-6-oxopyridazine-3-carboxamide
CID 82724984

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-butyl-6-oxopyridazine-3-carboxylate?
The IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-butyl-6-oxopyridazine-3-carboxylate (CID 30695777) is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-butyl-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-butyl-6-oxopyridazine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-butyl-6-oxopyridazine-3-carboxylate is CCCCn1nc(C(=O)OCC(=O)c2ccc[nH]2)ccc1=O.
What is the InChIKey of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-butyl-6-oxopyridazine-3-carboxylate?
The InChIKey is SBKVUTUISFCGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-2-3-9-18-14(20)7-6-12(17-18)15(21)22-10-13(19)11-5-4-8-16-11/h4-8,16H,2-3,9-10H2,1H3.
What are the key properties of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-butyl-6-oxopyridazine-3-carboxylate?
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-butyl-6-oxopyridazine-3-carboxylate has a molecular weight of 303.32 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-butyl-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 30695777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).