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

C9H15NO2 — CID 102652579

IUPAC3-amino-1-(2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(CN)C(=O)C1=CCCO1
InChIInChI=1S/C9H15NO2/c1-9(2,6-10)8(11)7-4-3-5-12-7/h4H,3,5-6,10H2,1-2H3
InChIKeyCWZMGHRKBNNLSM-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.84
Rot. Bonds3

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

3-amino-1-(2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-one (PubChem CID 102652579) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-amino-1-(2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-one
PubChem CID102652579
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-amino-1-(2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(CN)C(=O)C1=CCCO1
InChIInChI=1S/C9H15NO2/c1-9(2,6-10)8(11)7-4-3-5-12-7/h4H,3,5-6,10H2,1-2H3
InChIKeyCWZMGHRKBNNLSM-UHFFFAOYSA-N
XLogP0.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-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

Related Compounds

2-amino-1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 102652553
1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-methylbutan-1-one
CID 102651010
1-(2,3-dihydrofuran-5-yl)-2-ethoxy-2-methylbutan-1-one
CID 102651126
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one
CID 102648313
N-(2-methylbutan-2-yl)-2,3-dihydrofuran-5-carboxamide
CID 130684532
4-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one
CID 102652411
5-amino-1-(2,3-dihydrofuran-5-yl)-2-methylpentan-1-one
CID 102652629
1-(2,3-dihydrofuran-5-yl)but-3-en-1-one
CID 130171823
1-(2,3-dihydrofuran-5-yl)-2-methoxyethanone
CID 102650887
2-(2,3-dihydrofuran-5-yl)-2-fluoropropan-1-amine
CID 102652372
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 102646939
1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethanone
CID 102651098

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 3-amino-1-(2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-one (CID 102652579) is 3-amino-1-(2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 3-amino-1-(2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 3-amino-1-(2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-one is CC(C)(CN)C(=O)C1=CCCO1.
What is the InChIKey of 3-amino-1-(2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-one?
The InChIKey is CWZMGHRKBNNLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(2,6-10)8(11)7-4-3-5-12-7/h4H,3,5-6,10H2,1-2H3.
What are the key properties of 3-amino-1-(2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-one?
3-amino-1-(2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 102652579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).