3-amino-1-(furan-2-yl)-3-methylbutan-2-one

C9H13NO2 — CID 82413823

IUPAC3-amino-1-(furan-2-yl)-3-methylbutan-2-one
SMILESCC(C)(N)C(=O)Cc1ccco1
InChIInChI=1S/C9H13NO2/c1-9(2,10)8(11)6-7-4-3-5-12-7/h3-5H,6,10H2,1-2H3
InChIKeyPDJDLFNDTNORPY-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.13
Rot. Bonds3

About 3-amino-1-(furan-2-yl)-3-methylbutan-2-one

3-amino-1-(furan-2-yl)-3-methylbutan-2-one (PubChem CID 82413823) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-amino-1-(furan-2-yl)-3-methylbutan-2-one.

Molecular Properties

Compound Name3-amino-1-(furan-2-yl)-3-methylbutan-2-one
PubChem CID82413823
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-amino-1-(furan-2-yl)-3-methylbutan-2-one
SMILESCC(C)(N)C(=O)Cc1ccco1
InChIInChI=1S/C9H13NO2/c1-9(2,10)8(11)6-7-4-3-5-12-7/h3-5H,6,10H2,1-2H3
InChIKeyPDJDLFNDTNORPY-UHFFFAOYSA-N
XLogP1.13
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylamino)-1-(furan-2-yl)-3-methylbutan-2-one
CID 83173087
4-amino-1-(furan-2-yl)-5,5-dimethylhexan-2-one
CID 116608493
7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one
CID 116574856
3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 62997938
1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone
CID 83171692
2-(furan-2-ylmethyl)-2-methylbutanoic acid
CID 62998305
2-methylpropyl 2-(furan-2-yl)acetate
CID 156705031
3-ethyl-1-(furan-2-yl)pentan-2-one
CID 115795583
N-ethyl-2-(furan-2-yl)acetamide
CID 110484557
1-(furan-2-yl)-3-(methylamino)propan-2-one
CID 83635399
2-bromo-3-(furan-2-yl)-2-methylpropanoic acid
CID 67609490
ethyl 2-[[2-(furan-2-yl)acetyl]amino]acetate
CID 110484571

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(furan-2-yl)-3-methylbutan-2-one?
The IUPAC name of 3-amino-1-(furan-2-yl)-3-methylbutan-2-one (CID 82413823) is 3-amino-1-(furan-2-yl)-3-methylbutan-2-one.
What is the SMILES notation for 3-amino-1-(furan-2-yl)-3-methylbutan-2-one?
The canonical SMILES for 3-amino-1-(furan-2-yl)-3-methylbutan-2-one is CC(C)(N)C(=O)Cc1ccco1.
What is the InChIKey of 3-amino-1-(furan-2-yl)-3-methylbutan-2-one?
The InChIKey is PDJDLFNDTNORPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-9(2,10)8(11)6-7-4-3-5-12-7/h3-5H,6,10H2,1-2H3.
What are the key properties of 3-amino-1-(furan-2-yl)-3-methylbutan-2-one?
3-amino-1-(furan-2-yl)-3-methylbutan-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(furan-2-yl)-3-methylbutan-2-one is sourced from PubChem (CID 82413823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).