1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl]ethanone

C11H17N3O2 — CID 82377259

IUPAC1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl]ethanone
SMILESCC(=O)N1CC(CN(C)C)Nc2cocc21
InChIInChI=1S/C11H17N3O2/c1-8(15)14-5-9(4-13(2)3)12-10-6-16-7-11(10)14/h6-7,9,12H,4-5H2,1-3H3
InChIKeyWRTCMMUVEYVVBT-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.99
Rot. Bonds2

About 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl]ethanone

1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl]ethanone (PubChem CID 82377259) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl]ethanone
PubChem CID82377259
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl]ethanone
SMILESCC(=O)N1CC(CN(C)C)Nc2cocc21
InChIInChI=1S/C11H17N3O2/c1-8(15)14-5-9(4-13(2)3)12-10-6-16-7-11(10)14/h6-7,9,12H,4-5H2,1-3H3
InChIKeyWRTCMMUVEYVVBT-UHFFFAOYSA-N
XLogP0.99
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl]ethanone with MolForge

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Related Compounds

5-Amino-1-methyl-2-(trifluoromethyl)-2,4-dihydrofuro[3,4-b]pyrazin-3-one
CID 82375669
4-(Furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one
CID 20589881
3-N,4-N-dimethylfuran-3,4-diamine
CID 21099945
1-(Furan-3-yl)-2-[(2-methylpropan-2-yl)oxymethyl]piperazine
CID 59674724
1-(Furan-3-yl)piperazine
CID 63948938
N-(furan-3-yl)-N-piperidin-4-ylacetamide
CID 70038339
1-(Furan-3-yl)-2-methylpiperazine
CID 70574891
tert-butyl N-[4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]furan-3-yl]carbamate
CID 71145360
N-[4-[tert-butyl(methyl)amino]furan-3-yl]-N,2,2-trimethylpropanamide
CID 89777561
N-[4-(dimethylamino)furan-3-yl]-N-methylacetamide
CID 89778196
2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
CID 92546001
1-(Furan-3-yl)piperazin-2-one
CID 131062759

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl]ethanone?
The IUPAC name of 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl]ethanone (CID 82377259) is 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl]ethanone is CC(=O)N1CC(CN(C)C)Nc2cocc21.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl]ethanone?
The InChIKey is WRTCMMUVEYVVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(15)14-5-9(4-13(2)3)12-10-6-16-7-11(10)14/h6-7,9,12H,4-5H2,1-3H3.
What are the key properties of 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl]ethanone?
1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl]ethanone has a molecular weight of 223.28 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl]ethanone is sourced from PubChem (CID 82377259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).