[4-(5-chlorofuran-2-yl)-2-methylpyrrolidin-2-yl]methanol

C10H14ClNO2 — CID 117270635

IUPAC[4-(5-chlorofuran-2-yl)-2-methylpyrrolidin-2-yl]methanol
SMILESCC1(CO)CC(c2ccc(Cl)o2)CN1
InChIInChI=1S/C10H14ClNO2/c1-10(6-13)4-7(5-12-10)8-2-3-9(11)14-8/h2-3,7,12-13H,4-6H2,1H3
InChIKeyNUBAGHTTXBQIJK-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.76
Rot. Bonds2

About [4-(5-chlorofuran-2-yl)-2-methylpyrrolidin-2-yl]methanol

[4-(5-chlorofuran-2-yl)-2-methylpyrrolidin-2-yl]methanol (PubChem CID 117270635) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is [4-(5-chlorofuran-2-yl)-2-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(5-chlorofuran-2-yl)-2-methylpyrrolidin-2-yl]methanol
PubChem CID117270635
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name[4-(5-chlorofuran-2-yl)-2-methylpyrrolidin-2-yl]methanol
SMILESCC1(CO)CC(c2ccc(Cl)o2)CN1
InChIInChI=1S/C10H14ClNO2/c1-10(6-13)4-7(5-12-10)8-2-3-9(11)14-8/h2-3,7,12-13H,4-6H2,1H3
InChIKeyNUBAGHTTXBQIJK-UHFFFAOYSA-N
XLogP1.76
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chlorofuran-2-yl)-2-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [4-(5-chlorofuran-2-yl)-2-methylpyrrolidin-2-yl]methanol (CID 117270635) is [4-(5-chlorofuran-2-yl)-2-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [4-(5-chlorofuran-2-yl)-2-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [4-(5-chlorofuran-2-yl)-2-methylpyrrolidin-2-yl]methanol is CC1(CO)CC(c2ccc(Cl)o2)CN1.
What is the InChIKey of [4-(5-chlorofuran-2-yl)-2-methylpyrrolidin-2-yl]methanol?
The InChIKey is NUBAGHTTXBQIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-10(6-13)4-7(5-12-10)8-2-3-9(11)14-8/h2-3,7,12-13H,4-6H2,1H3.
What are the key properties of [4-(5-chlorofuran-2-yl)-2-methylpyrrolidin-2-yl]methanol?
[4-(5-chlorofuran-2-yl)-2-methylpyrrolidin-2-yl]methanol has a molecular weight of 215.68 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chlorofuran-2-yl)-2-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 117270635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).