[2-[(5-chlorofuran-2-yl)methylamino]-1-methylcyclopentyl]methanol

C12H18ClNO2 — CID 115655341

IUPAC[2-[(5-chlorofuran-2-yl)methylamino]-1-methylcyclopentyl]methanol
SMILESCC1(CO)CCCC1NCc1ccc(Cl)o1
InChIInChI=1S/C12H18ClNO2/c1-12(8-15)6-2-3-10(12)14-7-9-4-5-11(13)16-9/h4-5,10,14-15H,2-3,6-8H2,1H3
InChIKeyICONJSGBZQMZKA-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.57
Rot. Bonds4

About [2-[(5-chlorofuran-2-yl)methylamino]-1-methylcyclopentyl]methanol

[2-[(5-chlorofuran-2-yl)methylamino]-1-methylcyclopentyl]methanol (PubChem CID 115655341) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is [2-[(5-chlorofuran-2-yl)methylamino]-1-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(5-chlorofuran-2-yl)methylamino]-1-methylcyclopentyl]methanol
PubChem CID115655341
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name[2-[(5-chlorofuran-2-yl)methylamino]-1-methylcyclopentyl]methanol
SMILESCC1(CO)CCCC1NCc1ccc(Cl)o1
InChIInChI=1S/C12H18ClNO2/c1-12(8-15)6-2-3-10(12)14-7-9-4-5-11(13)16-9/h4-5,10,14-15H,2-3,6-8H2,1H3
InChIKeyICONJSGBZQMZKA-UHFFFAOYSA-N
XLogP2.57
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-chlorofuran-2-yl)methylamino]-1-methylcyclopentyl]methanol?
The IUPAC name of [2-[(5-chlorofuran-2-yl)methylamino]-1-methylcyclopentyl]methanol (CID 115655341) is [2-[(5-chlorofuran-2-yl)methylamino]-1-methylcyclopentyl]methanol.
What is the SMILES notation for [2-[(5-chlorofuran-2-yl)methylamino]-1-methylcyclopentyl]methanol?
The canonical SMILES for [2-[(5-chlorofuran-2-yl)methylamino]-1-methylcyclopentyl]methanol is CC1(CO)CCCC1NCc1ccc(Cl)o1.
What is the InChIKey of [2-[(5-chlorofuran-2-yl)methylamino]-1-methylcyclopentyl]methanol?
The InChIKey is ICONJSGBZQMZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-12(8-15)6-2-3-10(12)14-7-9-4-5-11(13)16-9/h4-5,10,14-15H,2-3,6-8H2,1H3.
What are the key properties of [2-[(5-chlorofuran-2-yl)methylamino]-1-methylcyclopentyl]methanol?
[2-[(5-chlorofuran-2-yl)methylamino]-1-methylcyclopentyl]methanol has a molecular weight of 243.73 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chlorofuran-2-yl)methylamino]-1-methylcyclopentyl]methanol is sourced from PubChem (CID 115655341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).