2-amino-1-(furan-2-yl)propan-1-one;hydrochloride

C7H10ClNO2 — CID 2831552

IUPAC2-amino-1-(furan-2-yl)propan-1-one;hydrochloride
SMILESCC(N)C(=O)c1ccco1.Cl
InChIInChI=1S/C7H9NO2.ClH/c1-5(8)7(9)6-3-2-4-10-6;/h2-5H,8H2,1H3;1H
InChIKeyYTBILFHFHBGRSR-UHFFFAOYSA-N
MW175.62 g/mol
LogP1.23
Rot. Bonds2

About 2-amino-1-(furan-2-yl)propan-1-one;hydrochloride

2-amino-1-(furan-2-yl)propan-1-one;hydrochloride (PubChem CID 2831552) has the molecular formula C7H10ClNO2 and a molecular weight of 175.62 g/mol. Its IUPAC name is 2-amino-1-(furan-2-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(furan-2-yl)propan-1-one;hydrochloride
PubChem CID2831552
Molecular FormulaC7H10ClNO2
Molecular Weight175.62 g/mol
Exact Mass175.04
IUPAC Name2-amino-1-(furan-2-yl)propan-1-one;hydrochloride
SMILESCC(N)C(=O)c1ccco1.Cl
InChIInChI=1S/C7H9NO2.ClH/c1-5(8)7(9)6-3-2-4-10-6;/h2-5H,8H2,1H3;1H
InChIKeyYTBILFHFHBGRSR-UHFFFAOYSA-N
XLogP1.23
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Propanone, 1-(2-furanyl)-
CID 76662
2-(Furan-2-yl)ethan-1-amine
CID 1132863
3-(Furan-2-yl)propan-1-amine
CID 179114
4-(Furan-2-yl)butan-2-amine
CID 2772029
1-(Furan-2-yl)propan-2-amine
CID 2772203
2-Amino-3-(furan-2-yl)propanoic acid
CID 11040913
alpha-Oxo-2-furanacetamide
CID 97353
2-(5-Methylfuran-2-yl)ethan-1-amine
CID 14933778
2-(Furan-2-yl)ethan-1-amine hydrochloride
CID 13045548
3-Furan-2-ylalanine
CID 2761503
2-Amino-1-(furan-2-yl)propan-1-one
CID 2831553
3-(Dimethylamino)-1-(furan-2-yl)propan-1-one--hydrogen chloride (1/1)
CID 12345044

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(furan-2-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(furan-2-yl)propan-1-one;hydrochloride (CID 2831552) is 2-amino-1-(furan-2-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(furan-2-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(furan-2-yl)propan-1-one;hydrochloride is CC(N)C(=O)c1ccco1.Cl.
What is the InChIKey of 2-amino-1-(furan-2-yl)propan-1-one;hydrochloride?
The InChIKey is YTBILFHFHBGRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2.ClH/c1-5(8)7(9)6-3-2-4-10-6;/h2-5H,8H2,1H3;1H.
What are the key properties of 2-amino-1-(furan-2-yl)propan-1-one;hydrochloride?
2-amino-1-(furan-2-yl)propan-1-one;hydrochloride has a molecular weight of 175.62 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(furan-2-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 2831552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).