5-amino-4-(furan-3-yl)pentan-2-ol

C9H15NO2 — CID 81421602

IUPAC5-amino-4-(furan-3-yl)pentan-2-ol
SMILESCC(O)CC(CN)c1ccoc1
InChIInChI=1S/C9H15NO2/c1-7(11)4-9(5-10)8-2-3-12-6-8/h2-3,6-7,9,11H,4-5,10H2,1H3
InChIKeyBXCXBJPKPZPLCM-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.09
Rot. Bonds4

About 5-amino-4-(furan-3-yl)pentan-2-ol

5-amino-4-(furan-3-yl)pentan-2-ol (PubChem CID 81421602) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 5-amino-4-(furan-3-yl)pentan-2-ol.

Molecular Properties

Compound Name5-amino-4-(furan-3-yl)pentan-2-ol
PubChem CID81421602
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name5-amino-4-(furan-3-yl)pentan-2-ol
SMILESCC(O)CC(CN)c1ccoc1
InChIInChI=1S/C9H15NO2/c1-7(11)4-9(5-10)8-2-3-12-6-8/h2-3,6-7,9,11H,4-5,10H2,1H3
InChIKeyBXCXBJPKPZPLCM-UHFFFAOYSA-N
XLogP1.09
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(furan-3-yl)pentan-2-ol?
The IUPAC name of 5-amino-4-(furan-3-yl)pentan-2-ol (CID 81421602) is 5-amino-4-(furan-3-yl)pentan-2-ol.
What is the SMILES notation for 5-amino-4-(furan-3-yl)pentan-2-ol?
The canonical SMILES for 5-amino-4-(furan-3-yl)pentan-2-ol is CC(O)CC(CN)c1ccoc1.
What is the InChIKey of 5-amino-4-(furan-3-yl)pentan-2-ol?
The InChIKey is BXCXBJPKPZPLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(11)4-9(5-10)8-2-3-12-6-8/h2-3,6-7,9,11H,4-5,10H2,1H3.
What are the key properties of 5-amino-4-(furan-3-yl)pentan-2-ol?
5-amino-4-(furan-3-yl)pentan-2-ol has a molecular weight of 169.22 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(furan-3-yl)pentan-2-ol is sourced from PubChem (CID 81421602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).