1-amino-2-(furan-2-yl)propan-2-ol

C7H11NO2 — CID 54595271

IUPAC1-amino-2-(furan-2-yl)propan-2-ol
SMILESCC(O)(CN)c1ccco1
InChIInChI=1S/C7H11NO2/c1-7(9,5-8)6-3-2-4-10-6/h2-4,9H,5,8H2,1H3
InChIKeyHCEFDRFLECEKNL-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.45
Rot. Bonds2

About 1-amino-2-(furan-2-yl)propan-2-ol

1-amino-2-(furan-2-yl)propan-2-ol (PubChem CID 54595271) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-amino-2-(furan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-(furan-2-yl)propan-2-ol
PubChem CID54595271
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-amino-2-(furan-2-yl)propan-2-ol
SMILESCC(O)(CN)c1ccco1
InChIInChI=1S/C7H11NO2/c1-7(9,5-8)6-3-2-4-10-6/h2-4,9H,5,8H2,1H3
InChIKeyHCEFDRFLECEKNL-UHFFFAOYSA-N
XLogP0.45
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(furan-2-yl)propan-2-ol?
The IUPAC name of 1-amino-2-(furan-2-yl)propan-2-ol (CID 54595271) is 1-amino-2-(furan-2-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-(furan-2-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-(furan-2-yl)propan-2-ol is CC(O)(CN)c1ccco1.
What is the InChIKey of 1-amino-2-(furan-2-yl)propan-2-ol?
The InChIKey is HCEFDRFLECEKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-7(9,5-8)6-3-2-4-10-6/h2-4,9H,5,8H2,1H3.
What are the key properties of 1-amino-2-(furan-2-yl)propan-2-ol?
1-amino-2-(furan-2-yl)propan-2-ol has a molecular weight of 141.17 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(furan-2-yl)propan-2-ol is sourced from PubChem (CID 54595271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).