2-amino-1-cyclopropyl-1-(furan-2-yl)ethanol

C9H13NO2 — CID 71778079

IUPAC2-amino-1-cyclopropyl-1-(furan-2-yl)ethanol
SMILESNCC(O)(c1ccco1)C1CC1
InChIInChI=1S/C9H13NO2/c10-6-9(11,7-3-4-7)8-2-1-5-12-8/h1-2,5,7,11H,3-4,6,10H2
InChIKeyGDBWTCJYDKHPOB-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.84
Rot. Bonds3

About 2-amino-1-cyclopropyl-1-(furan-2-yl)ethanol

2-amino-1-cyclopropyl-1-(furan-2-yl)ethanol (PubChem CID 71778079) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-amino-1-cyclopropyl-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-cyclopropyl-1-(furan-2-yl)ethanol
PubChem CID71778079
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-amino-1-cyclopropyl-1-(furan-2-yl)ethanol
SMILESNCC(O)(c1ccco1)C1CC1
InChIInChI=1S/C9H13NO2/c10-6-9(11,7-3-4-7)8-2-1-5-12-8/h1-2,5,7,11H,3-4,6,10H2
InChIKeyGDBWTCJYDKHPOB-UHFFFAOYSA-N
XLogP0.84
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclopropyl-1-(furan-2-yl)ethanol?
The IUPAC name of 2-amino-1-cyclopropyl-1-(furan-2-yl)ethanol (CID 71778079) is 2-amino-1-cyclopropyl-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-amino-1-cyclopropyl-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-amino-1-cyclopropyl-1-(furan-2-yl)ethanol is NCC(O)(c1ccco1)C1CC1.
What is the InChIKey of 2-amino-1-cyclopropyl-1-(furan-2-yl)ethanol?
The InChIKey is GDBWTCJYDKHPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c10-6-9(11,7-3-4-7)8-2-1-5-12-8/h1-2,5,7,11H,3-4,6,10H2.
What are the key properties of 2-amino-1-cyclopropyl-1-(furan-2-yl)ethanol?
2-amino-1-cyclopropyl-1-(furan-2-yl)ethanol has a molecular weight of 167.21 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclopropyl-1-(furan-2-yl)ethanol is sourced from PubChem (CID 71778079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).