[(2S)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl furan-3-carboxylate

C15H17N3O3 — CID 97071148

IUPAC[(2S)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl furan-3-carboxylate
SMILESCc1ccc(N2CCC[C@H]2COC(=O)c2ccoc2)nn1
InChIInChI=1S/C15H17N3O3/c1-11-4-5-14(17-16-11)18-7-2-3-13(18)10-21-15(19)12-6-8-20-9-12/h4-6,8-9,13H,2-3,7,10H2,1H3/t13-/m0/s1
InChIKeyTZAAWODRANEZNK-ZDUSSCGKSA-N
MW287.32 g/mol
LogP2.20
Rot. Bonds4

About [(2S)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl furan-3-carboxylate

[(2S)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl furan-3-carboxylate (PubChem CID 97071148) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is [(2S)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl furan-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl furan-3-carboxylate
PubChem CID97071148
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name[(2S)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl furan-3-carboxylate
SMILESCc1ccc(N2CCC[C@H]2COC(=O)c2ccoc2)nn1
InChIInChI=1S/C15H17N3O3/c1-11-4-5-14(17-16-11)18-7-2-3-13(18)10-21-15(19)12-6-8-20-9-12/h4-6,8-9,13H,2-3,7,10H2,1H3/t13-/m0/s1
InChIKeyTZAAWODRANEZNK-ZDUSSCGKSA-N
XLogP2.20
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl furan-3-carboxylate?
The IUPAC name of [(2S)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl furan-3-carboxylate (CID 97071148) is [(2S)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl furan-3-carboxylate.
What is the SMILES notation for [(2S)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl furan-3-carboxylate?
The canonical SMILES for [(2S)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl furan-3-carboxylate is Cc1ccc(N2CCC[C@H]2COC(=O)c2ccoc2)nn1.
What is the InChIKey of [(2S)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl furan-3-carboxylate?
The InChIKey is TZAAWODRANEZNK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11-4-5-14(17-16-11)18-7-2-3-13(18)10-21-15(19)12-6-8-20-9-12/h4-6,8-9,13H,2-3,7,10H2,1H3/t13-/m0/s1.
What are the key properties of [(2S)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl furan-3-carboxylate?
[(2S)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl furan-3-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl furan-3-carboxylate is sourced from PubChem (CID 97071148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).