methyl 5-oxo-1-(6-oxo-1-phenylpyridazin-4-yl)pyrrolidine-3-carboxylate

C16H15N3O4 — CID 168694036

IUPACmethyl 5-oxo-1-(6-oxo-1-phenylpyridazin-4-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2cnn(-c3ccccc3)c(=O)c2)C1
InChIInChI=1S/C16H15N3O4/c1-23-16(22)11-7-14(20)18(10-11)13-8-15(21)19(17-9-13)12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3
InChIKeyNHAVAKMLABVJNL-UHFFFAOYSA-N
MW313.31 g/mol
LogP0.76
Rot. Bonds3

About methyl 5-oxo-1-(6-oxo-1-phenylpyridazin-4-yl)pyrrolidine-3-carboxylate

methyl 5-oxo-1-(6-oxo-1-phenylpyridazin-4-yl)pyrrolidine-3-carboxylate (PubChem CID 168694036) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is methyl 5-oxo-1-(6-oxo-1-phenylpyridazin-4-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-1-(6-oxo-1-phenylpyridazin-4-yl)pyrrolidine-3-carboxylate
PubChem CID168694036
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Namemethyl 5-oxo-1-(6-oxo-1-phenylpyridazin-4-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2cnn(-c3ccccc3)c(=O)c2)C1
InChIInChI=1S/C16H15N3O4/c1-23-16(22)11-7-14(20)18(10-11)13-8-15(21)19(17-9-13)12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3
InChIKeyNHAVAKMLABVJNL-UHFFFAOYSA-N
XLogP0.76
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

S-[5-oxo-1-(6-oxo-1-phenylpyridazin-4-yl)pyrrolidin-3-yl] ethanethioate
CID 168705887
5-(4-amino-2-oxopyrrolidin-1-yl)-2-phenylpyridazin-3-one
CID 168700057
5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-2-phenylpyridazin-3-one
CID 168709213
methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate
CID 50873886
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl (3R)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 125424343
methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate
CID 168695333
methyl 1-(5-fluoro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168695182
2-chloro-5-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)benzoic acid
CID 168694649
methyl 5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxylate
CID 168693018
methyl 5-oxo-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-3-carboxylate
CID 168695288
methyl 1-[3-[3-[3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)phenoxy]-1,4-dioxonaphthalen-2-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxylate
CID 86573970

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-1-(6-oxo-1-phenylpyridazin-4-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 5-oxo-1-(6-oxo-1-phenylpyridazin-4-yl)pyrrolidine-3-carboxylate (CID 168694036) is methyl 5-oxo-1-(6-oxo-1-phenylpyridazin-4-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 5-oxo-1-(6-oxo-1-phenylpyridazin-4-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 5-oxo-1-(6-oxo-1-phenylpyridazin-4-yl)pyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2cnn(-c3ccccc3)c(=O)c2)C1.
What is the InChIKey of methyl 5-oxo-1-(6-oxo-1-phenylpyridazin-4-yl)pyrrolidine-3-carboxylate?
The InChIKey is NHAVAKMLABVJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-23-16(22)11-7-14(20)18(10-11)13-8-15(21)19(17-9-13)12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3.
What are the key properties of methyl 5-oxo-1-(6-oxo-1-phenylpyridazin-4-yl)pyrrolidine-3-carboxylate?
methyl 5-oxo-1-(6-oxo-1-phenylpyridazin-4-yl)pyrrolidine-3-carboxylate has a molecular weight of 313.31 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-1-(6-oxo-1-phenylpyridazin-4-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 168694036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).