3-ethyl-5-[5-[(3-hydroxypyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride

C17H23ClN2O3 — CID 67492090

IUPAC3-ethyl-5-[5-[(3-hydroxypyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride
SMILESCCc1cc(-c2ccc(CN3CCC(O)C3)o2)c(C)[nH]c1=O.Cl
InChIInChI=1S/C17H22N2O3.ClH/c1-3-12-8-15(11(2)18-17(12)21)16-5-4-14(22-16)10-19-7-6-13(20)9-19;/h4-5,8,13,20H,3,6-7,9-10H2,1-2H3,(H,18,21);1H
InChIKeySSHACFMOHVDEEN-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.49
Rot. Bonds4

About 3-ethyl-5-[5-[(3-hydroxypyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride

3-ethyl-5-[5-[(3-hydroxypyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride (PubChem CID 67492090) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 3-ethyl-5-[5-[(3-hydroxypyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-ethyl-5-[5-[(3-hydroxypyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride
PubChem CID67492090
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name3-ethyl-5-[5-[(3-hydroxypyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride
SMILESCCc1cc(-c2ccc(CN3CCC(O)C3)o2)c(C)[nH]c1=O.Cl
InChIInChI=1S/C17H22N2O3.ClH/c1-3-12-8-15(11(2)18-17(12)21)16-5-4-14(22-16)10-19-7-6-13(20)9-19;/h4-5,8,13,20H,3,6-7,9-10H2,1-2H3,(H,18,21);1H
InChIKeySSHACFMOHVDEEN-UHFFFAOYSA-N
XLogP2.49
TPSA69.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[5-[(3-hydroxypyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 3-ethyl-5-[5-[(3-hydroxypyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride (CID 67492090) is 3-ethyl-5-[5-[(3-hydroxypyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-ethyl-5-[5-[(3-hydroxypyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 3-ethyl-5-[5-[(3-hydroxypyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride is CCc1cc(-c2ccc(CN3CCC(O)C3)o2)c(C)[nH]c1=O.Cl.
What is the InChIKey of 3-ethyl-5-[5-[(3-hydroxypyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride?
The InChIKey is SSHACFMOHVDEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3.ClH/c1-3-12-8-15(11(2)18-17(12)21)16-5-4-14(22-16)10-19-7-6-13(20)9-19;/h4-5,8,13,20H,3,6-7,9-10H2,1-2H3,(H,18,21);1H.
What are the key properties of 3-ethyl-5-[5-[(3-hydroxypyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride?
3-ethyl-5-[5-[(3-hydroxypyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[5-[(3-hydroxypyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 67492090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).