2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one;hydrochloride

C11H18ClNO2 — CID 54609644

IUPAC2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one;hydrochloride
SMILESCCC(CN(C)C)C(=O)c1ccco1.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-4-9(8-12(2)3)11(13)10-6-5-7-14-10;/h5-7,9H,4,8H2,1-3H3;1H
InChIKeyLTWMSUNONQPKOH-UHFFFAOYSA-N
MW231.72 g/mol
LogP2.47
Rot. Bonds5

About 2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one;hydrochloride

2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one;hydrochloride (PubChem CID 54609644) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one;hydrochloride
PubChem CID54609644
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one;hydrochloride
SMILESCCC(CN(C)C)C(=O)c1ccco1.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-4-9(8-12(2)3)11(13)10-6-5-7-14-10;/h5-7,9H,4,8H2,1-3H3;1H
InChIKeyLTWMSUNONQPKOH-UHFFFAOYSA-N
XLogP2.47
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one;hydrochloride?
The IUPAC name of 2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one;hydrochloride (CID 54609644) is 2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one;hydrochloride?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one;hydrochloride is CCC(CN(C)C)C(=O)c1ccco1.Cl.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one;hydrochloride?
The InChIKey is LTWMSUNONQPKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.ClH/c1-4-9(8-12(2)3)11(13)10-6-5-7-14-10;/h5-7,9H,4,8H2,1-3H3;1H.
What are the key properties of 2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one;hydrochloride?
2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one;hydrochloride has a molecular weight of 231.72 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 54609644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).