[5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-yl]methanol

C10H15NO3 — CID 115762994

IUPAC[5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNC2(CO)CC2)o1
InChIInChI=1S/C10H15NO3/c12-6-9-2-1-8(14-9)5-11-10(7-13)3-4-10/h1-2,11-13H,3-7H2
InChIKeySIUWUOQNSKQWJW-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.39
Rot. Bonds5

About [5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-yl]methanol

[5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-yl]methanol (PubChem CID 115762994) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is [5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-yl]methanol
PubChem CID115762994
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name[5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNC2(CO)CC2)o1
InChIInChI=1S/C10H15NO3/c12-6-9-2-1-8(14-9)5-11-10(7-13)3-4-10/h1-2,11-13H,3-7H2
InChIKeySIUWUOQNSKQWJW-UHFFFAOYSA-N
XLogP0.39
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-yl]methanol (CID 115762994) is [5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-yl]methanol is OCc1ccc(CNC2(CO)CC2)o1.
What is the InChIKey of [5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-yl]methanol?
The InChIKey is SIUWUOQNSKQWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-6-9-2-1-8(14-9)5-11-10(7-13)3-4-10/h1-2,11-13H,3-7H2.
What are the key properties of [5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-yl]methanol?
[5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-yl]methanol has a molecular weight of 197.23 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 115762994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).