5-chloro-4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-pyridazin-6-one

C16H18ClN3O2 — CID 71978677

IUPAC5-chloro-4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-pyridazin-6-one
SMILESCOc1ccccc1CC1CCCN1c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C16H18ClN3O2/c1-22-14-7-3-2-5-11(14)9-12-6-4-8-20(12)13-10-18-19-16(21)15(13)17/h2-3,5,7,10,12H,4,6,8-9H2,1H3,(H,19,21)
InChIKeyFTYVWVWOGSQJND-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.64
Rot. Bonds4

About 5-chloro-4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-pyridazin-6-one (PubChem CID 71978677) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 5-chloro-4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-pyridazin-6-one
PubChem CID71978677
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name5-chloro-4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-pyridazin-6-one
SMILESCOc1ccccc1CC1CCCN1c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C16H18ClN3O2/c1-22-14-7-3-2-5-11(14)9-12-6-4-8-20(12)13-10-18-19-16(21)15(13)17/h2-3,5,7,10,12H,4,6,8-9H2,1H3,(H,19,21)
InChIKeyFTYVWVWOGSQJND-UHFFFAOYSA-N
XLogP2.64
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-pyridazin-6-one (CID 71978677) is 5-chloro-4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-pyridazin-6-one is COc1ccccc1CC1CCCN1c1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is FTYVWVWOGSQJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-22-14-7-3-2-5-11(14)9-12-6-4-8-20(12)13-10-18-19-16(21)15(13)17/h2-3,5,7,10,12H,4,6,8-9H2,1H3,(H,19,21).
What are the key properties of 5-chloro-4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 319.79 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 71978677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).