2-amino-1-(2,3-dihydrofuran-5-yl)pentan-1-one

C9H15NO2 — CID 102652416

IUPAC2-amino-1-(2,3-dihydrofuran-5-yl)pentan-1-one
SMILESCCCC(N)C(=O)C1=CCCO1
InChIInChI=1S/C9H15NO2/c1-2-4-7(10)9(11)8-5-3-6-12-8/h5,7H,2-4,6,10H2,1H3
InChIKeyFZNMRYKDTKSDBM-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.99
Rot. Bonds4

About 2-amino-1-(2,3-dihydrofuran-5-yl)pentan-1-one

2-amino-1-(2,3-dihydrofuran-5-yl)pentan-1-one (PubChem CID 102652416) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-amino-1-(2,3-dihydrofuran-5-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,3-dihydrofuran-5-yl)pentan-1-one
PubChem CID102652416
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-amino-1-(2,3-dihydrofuran-5-yl)pentan-1-one
SMILESCCCC(N)C(=O)C1=CCCO1
InChIInChI=1S/C9H15NO2/c1-2-4-7(10)9(11)8-5-3-6-12-8/h5,7H,2-4,6,10H2,1H3
InChIKeyFZNMRYKDTKSDBM-UHFFFAOYSA-N
XLogP0.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(2,3-dihydrofuran-5-yl)pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dihydrofuran-5-yl)pentan-1-one?
The IUPAC name of 2-amino-1-(2,3-dihydrofuran-5-yl)pentan-1-one (CID 102652416) is 2-amino-1-(2,3-dihydrofuran-5-yl)pentan-1-one.
What is the SMILES notation for 2-amino-1-(2,3-dihydrofuran-5-yl)pentan-1-one?
The canonical SMILES for 2-amino-1-(2,3-dihydrofuran-5-yl)pentan-1-one is CCCC(N)C(=O)C1=CCCO1.
What is the InChIKey of 2-amino-1-(2,3-dihydrofuran-5-yl)pentan-1-one?
The InChIKey is FZNMRYKDTKSDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-4-7(10)9(11)8-5-3-6-12-8/h5,7H,2-4,6,10H2,1H3.
What are the key properties of 2-amino-1-(2,3-dihydrofuran-5-yl)pentan-1-one?
2-amino-1-(2,3-dihydrofuran-5-yl)pentan-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dihydrofuran-5-yl)pentan-1-one is sourced from PubChem (CID 102652416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).