4-amino-1-(furan-3-yl)pentan-2-one

C9H13NO2 — CID 116555995

IUPAC4-amino-1-(furan-3-yl)pentan-2-one
SMILESCC(N)CC(=O)Cc1ccoc1
InChIInChI=1S/C9H13NO2/c1-7(10)4-9(11)5-8-2-3-12-6-8/h2-3,6-7H,4-5,10H2,1H3
InChIKeyGXFBOZWZKUJTSK-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.13
Rot. Bonds4

About 4-amino-1-(furan-3-yl)pentan-2-one

4-amino-1-(furan-3-yl)pentan-2-one (PubChem CID 116555995) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-amino-1-(furan-3-yl)pentan-2-one.

Molecular Properties

Compound Name4-amino-1-(furan-3-yl)pentan-2-one
PubChem CID116555995
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-amino-1-(furan-3-yl)pentan-2-one
SMILESCC(N)CC(=O)Cc1ccoc1
InChIInChI=1S/C9H13NO2/c1-7(10)4-9(11)5-8-2-3-12-6-8/h2-3,6-7H,4-5,10H2,1H3
InChIKeyGXFBOZWZKUJTSK-UHFFFAOYSA-N
XLogP1.13
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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3-Furyl methyl octyl ketone
CID 14755507
2-(Furan-3-yl)piperidin-4-one
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4-(4-Methylfuran-2-yl)butan-1-amine
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[5-Ethoxy-3-(furan-2-yl)-4-methylidenehex-5-en-2-yl]azanium
CID 135015060
4-Fluoro-4-(furan-2-ylmethyl)-5-methoxypentan-1-amine
CID 103392368
4-Fluoro-4-(furan-3-ylmethyl)-5-methoxypentan-1-amine
CID 103392638
4-Fluoro-4-(furan-3-yl)-5-methoxypentan-1-amine
CID 103392671
3-Fluoro-4-(furan-3-yl)butan-1-amine
CID 104277096
3-Fluoro-4-(furan-3-yl)-2-propan-2-ylbutan-1-amine
CID 107443739

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(furan-3-yl)pentan-2-one?
The IUPAC name of 4-amino-1-(furan-3-yl)pentan-2-one (CID 116555995) is 4-amino-1-(furan-3-yl)pentan-2-one.
What is the SMILES notation for 4-amino-1-(furan-3-yl)pentan-2-one?
The canonical SMILES for 4-amino-1-(furan-3-yl)pentan-2-one is CC(N)CC(=O)Cc1ccoc1.
What is the InChIKey of 4-amino-1-(furan-3-yl)pentan-2-one?
The InChIKey is GXFBOZWZKUJTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7(10)4-9(11)5-8-2-3-12-6-8/h2-3,6-7H,4-5,10H2,1H3.
What are the key properties of 4-amino-1-(furan-3-yl)pentan-2-one?
4-amino-1-(furan-3-yl)pentan-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(furan-3-yl)pentan-2-one is sourced from PubChem (CID 116555995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).