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

C11H17NO2 — CID 3246189

IUPAC(2R)-2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one
SMILESCC[C@H](CN(C)C)C(=O)c1ccco1
InChIInChI=1S/C11H17NO2/c1-4-9(8-12(2)3)11(13)10-6-5-7-14-10/h5-7,9H,4,8H2,1-3H3/t9-/m1/s1
InChIKeyUWPCGWBXYXTHIU-SECBINFHSA-N
MW195.26 g/mol
LogP2.05
Rot. Bonds5

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

(2R)-2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one (PubChem CID 3246189) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (2R)-2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one
PubChem CID3246189
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(2R)-2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one
SMILESCC[C@H](CN(C)C)C(=O)c1ccco1
InChIInChI=1S/C11H17NO2/c1-4-9(8-12(2)3)11(13)10-6-5-7-14-10/h5-7,9H,4,8H2,1-3H3/t9-/m1/s1
InChIKeyUWPCGWBXYXTHIU-SECBINFHSA-N
XLogP2.05
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one?
The IUPAC name of (2R)-2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one (CID 3246189) is (2R)-2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one.
What is the SMILES notation for (2R)-2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one?
The canonical SMILES for (2R)-2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one is CC[C@H](CN(C)C)C(=O)c1ccco1.
What is the InChIKey of (2R)-2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one?
The InChIKey is UWPCGWBXYXTHIU-SECBINFHSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-9(8-12(2)3)11(13)10-6-5-7-14-10/h5-7,9H,4,8H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one?
(2R)-2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one has a molecular weight of 195.26 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(dimethylamino)methyl]-1-(furan-2-yl)butan-1-one is sourced from PubChem (CID 3246189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).