[5-[(cyclopropylamino)methyl]furan-2-yl]methanol

C9H13NO2 — CID 20559403

IUPAC[5-[(cyclopropylamino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNC2CC2)o1
InChIInChI=1S/C9H13NO2/c11-6-9-4-3-8(12-9)5-10-7-1-2-7/h3-4,7,10-11H,1-2,5-6H2
InChIKeyNPCXDLUUXLDBCT-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.02
Rot. Bonds4

About [5-[(cyclopropylamino)methyl]furan-2-yl]methanol

[5-[(cyclopropylamino)methyl]furan-2-yl]methanol (PubChem CID 20559403) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is [5-[(cyclopropylamino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(cyclopropylamino)methyl]furan-2-yl]methanol
PubChem CID20559403
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name[5-[(cyclopropylamino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNC2CC2)o1
InChIInChI=1S/C9H13NO2/c11-6-9-4-3-8(12-9)5-10-7-1-2-7/h3-4,7,10-11H,1-2,5-6H2
InChIKeyNPCXDLUUXLDBCT-UHFFFAOYSA-N
XLogP1.02
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(cyclopropylamino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(cyclopropylamino)methyl]furan-2-yl]methanol (CID 20559403) is [5-[(cyclopropylamino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(cyclopropylamino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(cyclopropylamino)methyl]furan-2-yl]methanol is OCc1ccc(CNC2CC2)o1.
What is the InChIKey of [5-[(cyclopropylamino)methyl]furan-2-yl]methanol?
The InChIKey is NPCXDLUUXLDBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c11-6-9-4-3-8(12-9)5-10-7-1-2-7/h3-4,7,10-11H,1-2,5-6H2.
What are the key properties of [5-[(cyclopropylamino)methyl]furan-2-yl]methanol?
[5-[(cyclopropylamino)methyl]furan-2-yl]methanol has a molecular weight of 167.21 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(cyclopropylamino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 20559403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).